data_1jrf_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 1jrf _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 ' 5' ' ' CYS . . . . . . . . . . . . . 6.9 t . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.593 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 18.2 Cg_endo -74.98 173.96 13.6 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.477 1.777 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.414 ' O ' ' HG2' ' A' ' 16' ' ' PRO . 18.2 Cg_endo -74.95 154.1 42.49 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.478 1.778 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.466 ' HA3' ' CG ' ' A' ' 25' ' ' GLN . . . 177.32 78.07 0.05 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.19 20.32 3.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.725 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -65.11 -158.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.03 16.92 20.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.265 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.725 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 5.6 t 74.85 56.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 108.287 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.8 p -146.35 10.27 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.038 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.508 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.8 pt-20 174.1 109.55 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.272 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.576 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.04 112.0 3.46 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.477 1.777 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' A' ' 14' ' ' GLU . 18.2 Cg_endo -75.02 -43.78 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.548 1.815 . . . . 0.0 110.95 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -160.05 106.56 0.29 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.499 1.125 . . . . 0.0 111.022 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.478 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -76.67 127.87 33.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.773 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.477 ' HB2' ' CG ' ' A' ' 6' ' ' PRO . 1.6 m-70 179.07 85.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.17 . . . . 0.0 109.633 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.485 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -50.22 -18.3 2.15 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 19' ' ' HIS . 3.6 tp10 -51.33 -27.97 11.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 0.78 . . . . 0.0 110.283 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.1 t -129.57 -78.19 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 108.352 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 6' ' ' PRO . 83.0 m-85 -89.36 159.58 44.15 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 111.045 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.426 ' C ' ' N ' ' A' ' 26' ' ' ASP . 18.0 Cg_endo -75.04 5.56 3.93 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.572 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 45.3 mm-40 -42.39 -25.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.426 ' N ' ' C ' ' A' ' 24' ' ' PRO . 0.3 OUTLIER -47.15 -45.02 22.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.357 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 24.0 m95 -41.73 -48.7 4.26 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.576 ' CB ' ' HB3' ' A' ' 15' ' ' PRO . 2.6 mp -58.18 151.36 19.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 28' ' ' LEU . 15.6 t 39.38 80.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 108.303 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.518 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -137.88 -51.67 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.246 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.518 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 178.62 -46.0 0.09 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.599 ' CD2' ' O ' ' A' ' 33' ' ' PRO . 28.7 t60 -123.66 142.48 39.27 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.486 0.757 . . . . 0.0 109.593 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.599 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 18.2 Cg_endo -75.04 144.9 30.65 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.474 1.776 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.16 38.24 1.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 36' ' ' ASP . 5.3 m -118.14 -172.53 2.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 108.317 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 35' ' ' CYS . 0.5 OUTLIER -38.99 -63.46 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.09 -49.52 3.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.37 67.1 0.08 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.557 1.161 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -119.95 -5.93 10.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 110.278 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.499 ' HB2' ' CD2' ' A' ' 28' ' ' LEU . 4.3 p-10 -66.08 -15.22 62.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.413 ' HG2' ' C ' ' A' ' 40' ' ' ASP . 0.8 OUTLIER -135.43 18.19 3.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.244 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -51.42 -77.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 108.013 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.33 53.67 3.14 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 32.7 t . . . . . 0 C--N 1.324 -0.501 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.3 t . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.61 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -74.99 174.47 12.73 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.519 1.8 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.417 ' O ' ' HG2' ' A' ' 16' ' ' PRO . 18.2 Cg_endo -75.08 151.65 39.42 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.482 1.78 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.514 ' O ' ' CD2' ' A' ' 23' ' ' TYR . . . 176.37 84.39 0.06 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.459 1.1 . . . . 0.0 110.951 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.04 26.62 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 0.0 110.277 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.747 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -71.56 -158.86 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 111.008 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.59 17.18 19.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.334 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.747 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 7.2 t 75.82 56.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 108.33 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 p -145.35 9.9 1.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.03 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.51 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.8 pt-20 175.06 108.41 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.331 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.516 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.98 111.64 3.37 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.484 1.781 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.455 ' HD2' ' OE1' ' A' ' 25' ' ' GLN . 18.4 Cg_endo -74.92 -51.85 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.491 1.785 . . . . 0.0 111.016 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -150.05 99.09 0.19 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 111.052 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.95 126.63 30.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 0.773 . . . . 0.0 109.285 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.412 ' C ' ' N ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER 179.26 84.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.625 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -44.44 -23.96 0.57 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.444 1.09 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 19' ' ' HIS . 4.9 tp10 -42.48 -27.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.753 . . . . 0.0 110.332 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.417 ' N ' ' C ' ' A' ' 20' ' ' GLY . 5.2 t -136.75 -74.43 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 108.299 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.61 ' CD1' ' O ' ' A' ' 6' ' ' PRO . 79.2 m-85 -89.54 150.84 45.14 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.404 ' C ' ' N ' ' A' ' 26' ' ' ASP . 18.1 Cg_endo -75.02 7.62 2.79 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.455 ' OE1' ' HD2' ' A' ' 16' ' ' PRO . 47.5 mm-40 -48.06 -22.87 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.404 ' N ' ' C ' ' A' ' 24' ' ' PRO . 2.7 t70 -53.25 -39.04 63.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.43 ' O ' ' OD1' ' A' ' 30' ' ' ASP . 18.9 m95 -48.3 -35.27 11.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 107.989 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.524 ' CD2' ' CB ' ' A' ' 40' ' ' ASP . 5.0 mp -70.64 150.47 45.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.465 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 0.8 OUTLIER 49.22 78.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 108.293 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.484 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 2.4 p-10 -139.64 -62.0 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.74 -35.69 0.08 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.53 1.143 . . . . 0.0 110.97 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.423 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 1.7 m-70 -122.24 129.81 24.95 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.66 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 143.49 29.06 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.52 1.8 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -142.49 35.24 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.408 ' SG ' ' O ' ' A' ' 12' ' ' CYS . 18.0 m -112.44 -174.16 2.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 108.342 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -40.37 -50.35 2.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.16 -55.04 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 140.57 61.61 0.04 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -112.07 -6.68 14.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.767 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.524 ' CB ' ' CD2' ' A' ' 28' ' ' LEU . 2.5 p-10 -60.78 -14.96 24.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.465 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 5.8 pt-20 -147.79 31.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 45.5 t-105 -51.17 -86.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 108.011 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.66 50.88 3.32 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 0.0 111.0 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 32.3 t . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 174.31 13.0 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.502 1.791 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 128.06 11.19 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.449 1.763 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.558 ' O ' ' CD1' ' A' ' 23' ' ' TYR . . . 179.82 80.47 0.06 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.576 1.172 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -126.5 28.49 5.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.654 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -61.0 -156.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.85 17.32 18.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.654 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 1.9 t 76.25 49.88 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 108.307 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.61 8.71 3.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.974 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.643 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.8 pt-20 176.43 113.81 0.13 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.501 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.01 111.42 3.32 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.471 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.3 Cg_endo -74.97 -65.41 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.469 ' O ' ' NE2' ' A' ' 25' ' ' GLN . . . -141.92 85.25 0.2 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.462 ' HA ' ' CG ' ' A' ' 25' ' ' GLN . . . -42.13 131.5 3.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.467 ' N ' HE21 ' A' ' 25' ' ' GLN . 0.1 OUTLIER 178.85 84.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 109.588 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -57.13 -13.5 9.45 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.67 -16.57 11.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.75 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.0 t -142.74 -73.28 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 108.329 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.558 ' CD1' ' O ' ' A' ' 8' ' ' GLY . 21.1 m-85 -88.44 143.57 32.54 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 6.64 3.26 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.455 1.766 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.512 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -58.24 -12.62 3.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 110.335 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -61.15 -20.32 62.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.419 ' O ' ' OD1' ' A' ' 30' ' ' ASP . 24.8 m0 -69.32 -23.48 63.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 107.978 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.512 ' CD1' ' HA ' ' A' ' 25' ' ' GLN . 5.7 mp -72.04 152.37 42.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.472 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 0.5 OUTLIER 47.04 78.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 108.305 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.492 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 2.2 p-10 -139.91 -62.52 0.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.78 -35.1 0.08 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.422 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 8.1 m-70 -116.79 121.26 33.1 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 109.591 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 112.63 3.6 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.472 1.775 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.22 59.88 1.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.29 -161.49 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 108.308 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.53 -45.64 3.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -132.33 -56.2 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 148.17 46.65 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.9 ptm85 -114.6 -12.12 12.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 0.772 . . . . 0.0 110.267 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.509 ' CB ' HD21 ' A' ' 28' ' ' LEU . 2.3 p-10 -46.02 -27.46 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.472 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 5.2 pt-20 -135.39 36.37 2.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 10.1 t90 -52.3 -89.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 108.008 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.33 52.2 3.38 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.6 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 173.26 14.82 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.496 1.788 . . . . 0.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 131.05 13.99 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.455 1.766 . . . . 0.0 111.043 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.592 ' O ' ' CD1' ' A' ' 23' ' ' TYR . . . 179.03 80.35 0.06 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.64 31.28 5.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.681 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -63.53 -156.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.87 18.01 17.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.681 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 7.7 t 75.38 51.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 108.255 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.1 p -137.66 8.8 2.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.628 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.3 pt-20 176.24 113.43 0.12 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.509 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.97 112.2 3.5 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.504 1.791 . . . . 0.0 110.99 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.47 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.2 Cg_endo -75.05 -66.23 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.488 1.783 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.469 ' O ' ' NE2' ' A' ' 25' ' ' GLN . . . -140.93 87.55 0.19 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.445 1.091 . . . . 0.0 111.016 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -42.41 131.18 3.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.473 ' N ' HE21 ' A' ' 25' ' ' GLN . 0.1 OUTLIER 178.68 86.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.611 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.94 -10.66 20.86 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.122 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -63.96 -11.58 29.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 0.79 . . . . 0.0 110.258 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.5 t -144.01 -74.34 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 108.295 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.592 ' CD1' ' O ' ' A' ' 8' ' ' GLY . 21.9 m-85 -89.63 144.91 32.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 8.41 2.4 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.523 1.801 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.518 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -60.28 -10.22 4.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -60.78 -24.0 65.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.298 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.405 ' O ' ' OD1' ' A' ' 30' ' ' ASP . 49.8 m95 -65.54 -21.8 66.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 107.974 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.518 ' CD1' ' HA ' ' A' ' 25' ' ' GLN . 5.5 mp -75.96 151.82 37.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.258 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.409 ' HA ' ' HB3' ' A' ' 41' ' ' GLU . 0.7 OUTLIER 49.5 75.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 108.305 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 2.1 p-10 -137.49 -62.42 0.61 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.406 ' C ' ' OE2' ' A' ' 41' ' ' GLU . . . 178.59 -35.87 0.08 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.422 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -120.52 122.76 28.46 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 109.605 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.421 ' HB2' ' CA ' ' A' ' 38' ' ' GLY . 18.3 Cg_endo -74.98 126.7 10.15 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -139.84 49.91 1.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.8 OUTLIER -116.48 -168.25 1.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 108.259 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 35' ' ' CYS . 27.0 t70 -38.15 -51.16 1.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -124.75 -56.96 1.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.421 ' CA ' ' HB2' ' A' ' 33' ' ' PRO . . . 146.16 51.5 0.03 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -114.87 1.76 14.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.503 ' CB ' HD22 ' A' ' 28' ' ' LEU . 1.5 p-10 -64.31 -12.82 45.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.422 ' OE2' ' C ' ' A' ' 32' ' ' HIS . 6.2 pt-20 -147.37 24.42 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -51.98 -77.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 108.043 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.25 45.84 2.89 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.476 1.11 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.414 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 42.1 t . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.73 12.28 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.466 1.771 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 126.14 9.74 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.482 1.78 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.587 ' O ' ' CD2' ' A' ' 23' ' ' TYR . . . 179.87 80.72 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.485 ' CG ' ' OH ' ' A' ' 23' ' ' TYR . 2.1 tt0 -127.18 31.51 5.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 110.291 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.687 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -64.03 -156.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 111.053 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -113.56 17.06 18.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.34 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.687 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 0.5 OUTLIER 76.62 51.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 108.317 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.3 p -137.49 8.62 2.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.977 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.627 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.3 pt-20 176.15 113.39 0.12 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.346 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.548 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.03 111.9 3.43 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.799 . . . . 0.0 110.966 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.482 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.2 Cg_endo -75.02 -64.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.521 1.8 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.57 92.93 0.18 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.446 ' HA ' ' CG ' ' A' ' 25' ' ' GLN . . . -49.09 132.11 19.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.776 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 178.37 85.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.58 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -57.75 -12.87 11.16 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.457 1.098 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER -54.42 -19.78 6.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 0.755 . . . . 0.0 110.293 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.414 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 26.6 t -136.62 -79.44 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 108.318 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.587 ' CD2' ' O ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -89.64 151.76 46.2 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.46 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 18.1 Cg_endo -75.02 13.16 1.07 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.539 1.81 . . . . 0.0 110.957 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.523 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -56.33 -14.95 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.321 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.83 -28.34 68.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 58.7 m95 -58.62 -25.4 62.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 107.997 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.548 ' CB ' ' HB3' ' A' ' 15' ' ' PRO . 5.0 mp -70.65 147.75 48.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.483 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 0.7 OUTLIER 46.85 73.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 108.301 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.55 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.2 OUTLIER -133.11 -53.02 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.55 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 177.99 -44.74 0.09 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.437 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.2 OUTLIER -117.1 128.65 25.88 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 109.621 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.464 ' HB2' ' CA ' ' A' ' 38' ' ' GLY . 18.4 Cg_endo -75.0 110.1 3.05 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.522 1.801 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -129.73 55.86 1.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -119.94 -165.12 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 108.332 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 35' ' ' CYS . 20.2 t0 -39.48 -50.17 2.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.28 -57.71 1.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.464 ' CA ' ' HB2' ' A' ' 33' ' ' PRO . . . 148.31 44.45 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.453 ' CZ ' ' HB2' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -109.14 -14.85 14.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 0.737 . . . . 0.0 110.344 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.536 ' CB ' ' CD2' ' A' ' 28' ' ' LEU . 5.0 p-10 -46.06 -26.39 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.483 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 8.1 pt-20 -138.41 34.35 2.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.533 ' CG ' ' N ' ' A' ' 43' ' ' GLY . 2.0 t-105 -50.75 -86.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 108.039 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.533 ' N ' ' CG ' ' A' ' 42' ' ' TRP . . . -77.4 50.86 3.23 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.501 1.125 . . . . 0.0 111.001 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.4 t . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 174.11 13.35 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.462 1.77 . . . . 0.0 111.002 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 131.28 14.17 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.555 1.818 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.488 ' CA ' ' HG2' ' A' ' 16' ' ' PRO . . . 178.59 82.06 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -126.9 33.96 4.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.685 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -66.84 -158.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.08 17.6 18.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.685 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 2.0 t 76.87 51.48 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 108.351 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 p -136.9 8.71 3.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.997 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.628 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 12.1 pt-20 175.92 113.77 0.12 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.546 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -75.01 110.53 3.14 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.511 1.795 . . . . 0.0 111.021 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.493 ' HD3' ' O ' ' A' ' 14' ' ' GLU . 18.3 Cg_endo -74.97 -65.29 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -140.58 85.53 0.21 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.125 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.439 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -55.59 132.74 49.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.42 ' C ' ' N ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER 179.01 84.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.122 . . . . 0.0 109.568 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.44 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -43.32 -24.12 0.33 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.136 . . . . 0.0 111.045 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.42 ' N ' ' C ' ' A' ' 19' ' ' HIS . 3.0 tp10 -40.96 -29.2 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 0.761 . . . . 0.0 110.29 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.415 ' N ' ' C ' ' A' ' 20' ' ' GLY . 7.3 t -136.24 -74.19 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 108.288 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.601 ' CG ' ' NE2' ' A' ' 25' ' ' GLN . 15.5 m-85 -88.76 148.87 42.61 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 111.043 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.456 ' C ' ' N ' ' A' ' 26' ' ' ASP . 18.1 Cg_endo -75.03 9.59 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.601 ' NE2' ' CG ' ' A' ' 23' ' ' TYR . 13.8 mt-30 -40.74 -26.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.456 ' N ' ' C ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -44.95 -47.08 11.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.401 ' C ' ' O ' ' A' ' 26' ' ' ASP . 47.6 m95 -41.45 -44.31 2.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 107.979 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.546 ' CB ' ' HB3' ' A' ' 15' ' ' PRO . 4.3 mp -61.57 147.57 45.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.494 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 35.9 t 45.31 75.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 108.291 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.519 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -135.6 -52.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.519 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 178.12 -45.71 0.09 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.554 1.159 . . . . 0.0 110.975 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.42 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -119.14 129.67 25.27 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 109.6 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.72 4.67 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.528 1.804 . . . . 0.0 110.994 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.67 57.6 1.8 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -116.68 -164.09 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 108.304 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 35' ' ' CYS . 19.6 t0 -39.29 -48.48 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -129.87 -53.83 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 147.63 70.22 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -143.13 15.09 1.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.533 ' CB ' HD21 ' A' ' 28' ' ' LEU . 1.9 p-10 -78.76 -1.55 35.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.494 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 10.3 pt-20 -155.72 25.6 0.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.601 ' CG ' ' N ' ' A' ' 43' ' ' GLY . 9.6 p-90 -60.7 -59.11 5.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 108.008 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.601 ' N ' ' CG ' ' A' ' 42' ' ' TRP . . . -78.86 5.12 58.99 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.465 1.103 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.0 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 174.62 12.45 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.493 1.786 . . . . 0.0 111.038 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 141.93 27.19 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.505 1.792 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.496 ' HA2' ' CG ' ' A' ' 16' ' ' PRO . . . 178.89 81.26 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.468 1.105 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -123.89 28.87 6.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 110.286 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.655 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -64.6 -154.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.63 17.28 17.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.655 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 13.4 t 75.38 53.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 108.295 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.8 p -140.75 9.97 2.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.645 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 7.9 pt-20 176.14 113.26 0.12 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.505 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.95 110.65 3.16 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.512 1.796 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.496 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.0 Cg_endo -75.07 -52.48 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.496 1.788 . . . . 0.0 110.959 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . -138.43 59.55 0.6 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.527 1.142 . . . . 0.0 110.957 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.46 ' HA ' ' CG ' ' A' ' 25' ' ' GLN . . . -38.69 118.47 0.75 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.463 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER 179.49 86.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.597 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.448 ' C ' ' N ' ' A' ' 22' ' ' CYS . . . -40.13 -25.49 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 19' ' ' HIS . 2.8 tp10 -39.71 -28.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.761 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.448 ' N ' ' C ' ' A' ' 20' ' ' GLY . 13.4 t -137.75 -68.68 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 108.283 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.461 ' CE1' ' O ' ' A' ' 8' ' ' GLY . 14.1 m-85 -95.1 137.99 22.09 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.173 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 5.12 4.17 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.512 1.796 . . . . 0.0 110.971 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.51 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -55.66 -14.07 2.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.66 -33.46 47.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.429 ' O ' ' OD1' ' A' ' 30' ' ' ASP . 57.0 m95 -54.64 -36.71 64.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 107.951 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.51 ' CD1' ' HA ' ' A' ' 25' ' ' GLN . 5.3 mp -66.39 151.31 47.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.423 ' HA ' ' HB3' ' A' ' 41' ' ' GLU . 0.8 OUTLIER 48.76 79.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 108.283 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.468 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 3.6 p-10 -142.7 -63.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 177.57 -34.41 0.08 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.455 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -119.52 125.89 27.26 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.473 0.749 . . . . 0.0 109.624 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.416 ' HB2' ' CA ' ' A' ' 38' ' ' GLY . 18.2 Cg_endo -75.03 131.49 14.32 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.518 1.799 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -149.8 39.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.6 OUTLIER -108.22 -166.37 1.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 108.312 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 35' ' ' CYS . 0.2 OUTLIER -37.53 -53.74 1.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -119.42 -61.3 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.416 ' CA ' ' HB2' ' A' ' 33' ' ' PRO . . . 150.57 44.33 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 111.035 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -112.42 -5.22 14.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 0.0 110.333 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.508 ' CB ' HD21 ' A' ' 28' ' ' LEU . 45.4 p-10 -46.36 -27.97 1.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.455 ' OE2' ' C ' ' A' ' 32' ' ' HIS . 3.9 pt-20 -129.15 37.82 4.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -54.99 -93.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 108.031 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.73 52.15 3.15 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.518 1.136 . . . . 0.0 111.047 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.1 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.419 ' HG2' ' O ' ' A' ' 17' ' ' GLY . 18.3 Cg_endo -74.95 174.59 12.51 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.467 1.772 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.4 35.22 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.505 1.792 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.499 ' HA2' ' CG ' ' A' ' 16' ' ' PRO . . . 178.59 81.05 0.06 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.8 pm0 -125.95 29.58 5.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.678 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -65.05 -155.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.997 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.45 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -114.9 21.67 14.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 110.296 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.678 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 43.5 t 70.15 57.78 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 108.334 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.8 p -147.03 10.69 1.02 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.614 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 7.9 pt-20 175.2 111.34 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.455 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . 18.1 Cg_endo -75.06 113.14 3.72 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.784 . . . . 0.0 110.959 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.499 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.5 Cg_endo -74.97 -57.42 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 0.0 111.042 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.419 ' O ' ' HG2' ' A' ' 6' ' ' PRO . . . -134.2 59.45 0.67 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.539 1.149 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -42.76 120.26 1.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER 179.33 90.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.591 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 22' ' ' CYS . . . -40.45 -25.34 0.09 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 19' ' ' HIS . 1.2 tt0 -39.49 -29.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 0.787 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 20' ' ' GLY . 13.5 t -136.36 -72.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.289 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.431 ' C ' ' H ' ' A' ' 25' ' ' GLN . 75.5 m-85 -93.19 147.27 33.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 13.09 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.428 1.751 . . . . 0.0 110.986 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.666 ' NE2' ' CE1' ' A' ' 10' ' ' PHE . 12.7 mm-40 -51.76 -18.43 1.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.283 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' A' ' 26' ' ' ASP . 1.1 t0 -51.42 -43.9 62.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.4 ' O ' ' OD1' ' A' ' 30' ' ' ASP . 37.9 m95 -44.83 -36.96 3.52 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.577 ' CD1' ' HA ' ' A' ' 25' ' ' GLN . 3.6 mp -76.99 157.54 31.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.433 ' HA ' ' HB3' ' A' ' 41' ' ' GLU . 0.5 OUTLIER 46.66 75.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 108.289 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.487 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 1.3 p-10 -137.06 -60.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.419 ' C ' ' OE2' ' A' ' 41' ' ' GLU . . . 179.38 -37.55 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 110.971 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.432 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 1.1 m80 -121.77 131.76 24.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 109.575 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 147.95 34.7 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.5 1.789 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.67 45.44 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.441 ' SG ' ' O ' ' A' ' 12' ' ' CYS . 1.1 m -119.84 -169.45 1.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 108.288 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 35' ' ' CYS . 21.5 t70 -37.82 -58.2 0.94 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.19 -58.58 2.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 146.48 43.87 0.04 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.456 1.098 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.1 ptt180 -103.45 -9.25 19.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.752 . . . . 0.0 110.3 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.543 ' HB2' ' CD2' ' A' ' 28' ' ' LEU . 21.8 p-10 -45.9 -27.36 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.433 ' HB3' ' HA ' ' A' ' 29' ' ' CYS . 5.3 pt-20 -138.51 37.27 2.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 63.7 t-105 -51.37 -87.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 107.997 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.24 51.23 3.23 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.524 1.14 . . . . 0.0 111.065 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.402 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 27.0 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.66 15.93 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 140.63 25.58 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.475 1.776 . . . . 0.0 110.975 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.616 ' O ' ' CE2' ' A' ' 23' ' ' TYR . . . 179.36 81.06 0.06 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -128.27 27.84 5.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 0.795 . . . . 0.0 110.258 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.677 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -64.36 -158.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.75 18.91 17.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.677 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 6.7 t 74.52 52.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 108.234 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.434 ' O ' ' NE ' ' A' ' 39' ' ' ARG . 20.0 p -137.83 8.59 2.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.618 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.1 pt-20 176.3 113.68 0.12 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.551 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.0 111.94 3.44 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.504 1.791 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.483 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.3 Cg_endo -74.98 -61.37 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -139.92 94.87 0.2 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.497 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -64.87 122.88 18.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 0.722 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.425 ' C ' ' N ' ' A' ' 21' ' ' GLU . 0.5 OUTLIER 179.25 85.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.613 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.43 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -44.47 -22.83 0.43 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.132 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.425 ' N ' ' C ' ' A' ' 19' ' ' HIS . 2.8 tp10 -40.75 -30.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 110.305 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.402 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 37.2 t -128.41 -81.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 108.297 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.616 ' CE2' ' O ' ' A' ' 8' ' ' GLY . 0.3 OUTLIER -90.38 154.2 46.49 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.452 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 18.4 Cg_endo -74.92 32.47 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.472 1.775 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.497 ' CB ' ' HA ' ' A' ' 18' ' ' ALA . 17.1 mt-30 -59.84 -20.62 58.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.85 -38.98 73.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.411 ' O ' ' OD1' ' A' ' 30' ' ' ASP . 50.7 m95 -48.01 -30.86 4.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 108.031 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.551 ' CB ' ' HB3' ' A' ' 15' ' ' PRO . 4.6 mp -77.14 156.65 31.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.416 ' HA ' ' HB3' ' A' ' 41' ' ' GLU . 44.2 t 42.45 78.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 108.245 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.482 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 1.0 OUTLIER -137.39 -65.19 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 177.38 -33.68 0.08 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.413 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 1.6 t-80 -123.5 126.76 25.74 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.523 0.778 . . . . 0.0 109.596 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.471 ' N ' ' OE2' ' A' ' 41' ' ' GLU . 18.4 Cg_endo -74.98 132.88 15.96 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.536 1.809 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.6 29.82 4.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' A' ' 12' ' ' CYS . 18.0 m -102.6 -174.43 2.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 108.289 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' CYS . 28.3 t70 -39.68 -56.45 1.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -118.43 -47.67 2.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.604 ' O ' ' CZ3' ' A' ' 42' ' ' TRP . . . 134.43 76.54 0.09 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.434 ' NE ' ' O ' ' A' ' 13' ' ' SER . 5.1 ptm85 -132.54 7.06 4.13 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.529 0.782 . . . . 0.0 110.261 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.505 ' CB ' HD23 ' A' ' 28' ' ' LEU . 1.1 p-10 -76.85 -1.48 28.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.471 ' OE2' ' N ' ' A' ' 33' ' ' PRO . 4.0 pt-20 -144.68 16.96 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.296 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.604 ' CZ3' ' O ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -50.8 -79.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.68 50.24 3.22 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.464 1.103 . . . . 0.0 110.952 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 11.4 t . . . . . 0 C--N 1.326 -0.441 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.8 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.401 ' HG2' ' O ' ' A' ' 17' ' ' GLY . 18.2 Cg_endo -75.04 174.17 13.26 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 147.18 33.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.481 1.779 . . . . 0.0 110.962 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.485 ' HA2' ' CG ' ' A' ' 16' ' ' PRO . . . 178.14 81.68 0.06 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.97 30.43 6.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.663 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -65.55 -156.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 111.009 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.445 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 2.4 ttm-85 -114.98 20.95 14.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.663 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 42.2 t 72.06 54.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 108.3 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.85 9.39 1.95 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.041 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.625 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 7.8 pt-20 175.68 112.33 0.11 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.478 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.05 111.71 3.39 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.509 1.794 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.485 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.2 Cg_endo -75.01 -56.7 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.478 1.778 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.401 ' O ' ' HG2' ' A' ' 6' ' ' PRO . . . -134.58 56.03 0.72 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.516 1.135 . . . . 0.0 111.045 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.519 ' O ' ' CG ' ' A' ' 19' ' ' HIS . . . -40.45 120.34 1.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 0.738 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.519 ' CG ' ' O ' ' A' ' 18' ' ' ALA . 2.2 m-70 179.09 89.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.601 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.437 ' C ' ' N ' ' A' ' 22' ' ' CYS . . . -38.98 -26.59 0.05 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 19' ' ' HIS . 2.1 tp10 -39.74 -28.98 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 0.759 . . . . 0.0 110.266 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.437 ' N ' ' C ' ' A' ' 20' ' ' GLY . 6.4 t -140.37 -62.05 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 108.328 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -101.64 142.85 25.43 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.439 ' C ' ' N ' ' A' ' 26' ' ' ASP . 18.3 Cg_endo -74.99 9.77 1.92 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.536 1.809 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.508 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 1.1 mt-30 -46.91 -20.61 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.439 ' N ' ' C ' ' A' ' 24' ' ' PRO . 0.2 OUTLIER -47.93 -44.86 30.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -44.78 -39.36 5.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 107.986 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.51 ' CD2' ' HB2' ' A' ' 40' ' ' ASP . 3.9 mp -77.17 159.11 29.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.469 ' HA ' ' HB3' ' A' ' 41' ' ' GLU . 0.5 OUTLIER 41.81 76.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 108.312 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.507 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.3 OUTLIER -137.48 -50.83 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.507 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 179.13 -47.18 0.09 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.105 . . . . 0.0 111.044 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.435 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -122.39 137.29 27.46 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.747 . . . . 0.0 109.628 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 149.15 36.37 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.463 1.77 . . . . 0.0 111.062 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -164.93 54.56 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.8 OUTLIER -122.47 -166.49 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 108.305 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.461 ' C ' ' O ' ' A' ' 35' ' ' CYS . 1.1 t70 -36.16 -54.81 0.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.78 -63.87 1.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.524 ' O ' ' CE3' ' A' ' 42' ' ' TRP . . . 153.54 43.41 0.02 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -111.05 -3.42 15.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.51 ' HB2' ' CD2' ' A' ' 28' ' ' LEU . 24.7 p-10 -47.2 -26.91 1.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.469 ' HB3' ' HA ' ' A' ' 29' ' ' CYS . 5.3 pt-20 -140.74 42.64 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.524 ' CE3' ' O ' ' A' ' 38' ' ' GLY . 0.4 OUTLIER -55.88 -76.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 107.969 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.41 45.65 2.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.1 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 172.9 15.47 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.526 1.803 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 110.17 3.07 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.53 1.805 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.457 ' CA ' ' CG ' ' A' ' 16' ' ' PRO . . . 179.84 80.34 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.443 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -130.13 147.11 51.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 0.803 . . . . 0.0 110.304 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.658 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -165.75 -157.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.534 ' O ' ' CB ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -116.0 10.7 15.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.268 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.658 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 2.7 t 90.1 55.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 108.329 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.2 p -140.42 6.87 2.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.001 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.654 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 8.2 pt-20 173.79 116.86 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.629 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.02 112.91 3.67 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.562 1.822 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.457 ' CG ' ' CA ' ' A' ' 8' ' ' GLY . 18.4 Cg_endo -74.99 -63.86 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.428 1.751 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -151.28 105.89 0.3 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.473 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -54.22 124.5 15.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 177.92 84.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.592 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -53.28 -16.68 4.94 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.134 . . . . 0.0 111.053 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -40.89 -37.28 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 0.0 110.271 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.0 t -127.83 -76.45 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 108.313 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.477 ' CB ' ' OE1' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -88.48 151.41 48.25 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.429 ' HB2' ' CD1' ' A' ' 27' ' ' TRP . 18.4 Cg_endo -74.92 37.7 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.564 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 4.6 mt-30 -59.64 -23.28 62.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -64.12 -24.47 67.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.429 ' CD1' ' HB2' ' A' ' 24' ' ' PRO . 23.3 m95 -61.24 -32.62 72.42 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.629 ' CB ' ' HB3' ' A' ' 15' ' ' PRO . 2.7 mp -72.7 154.78 40.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.463 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 0.8 OUTLIER 39.95 81.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 108.321 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.425 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 3.1 p-10 -137.51 -57.41 0.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 179.47 -40.81 0.08 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.418 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 1.2 m170 -126.41 134.48 26.05 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.443 0.731 . . . . 0.0 109.546 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.423 ' HB2' ' CA ' ' A' ' 38' ' ' GLY . 18.3 Cg_endo -74.99 137.06 21.25 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.453 1.765 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.38 33.21 3.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.415 ' SG ' ' O ' ' A' ' 12' ' ' CYS . 24.0 m -107.79 -176.01 2.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 108.303 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -39.93 -55.94 1.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.4 -51.56 2.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.423 ' CA ' ' HB2' ' A' ' 33' ' ' PRO . . . 136.69 68.91 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.549 1.155 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -118.14 -7.95 10.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 110.262 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.488 ' CB ' HD23 ' A' ' 28' ' ' LEU . 2.6 p-10 -61.92 -13.62 26.76 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.463 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 7.3 pt-20 -151.64 34.72 0.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -50.39 -83.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 108.032 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.9 52.0 3.2 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.9 t . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.416 ' HG2' ' O ' ' A' ' 17' ' ' GLY . 18.5 Cg_endo -74.96 175.14 11.62 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.509 1.794 . . . . 0.0 111.062 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 135.75 19.49 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.498 1.788 . . . . 0.0 110.943 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.589 ' O ' ' CE2' ' A' ' 23' ' ' TYR . . . 179.22 80.76 0.06 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.48 1.113 . . . . 0.0 110.966 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -125.11 34.32 4.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 110.297 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.661 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -67.27 -154.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 111.015 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.446 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -115.56 20.13 14.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.661 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 42.9 t 72.59 54.66 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 108.333 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.5 p -141.71 9.35 1.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.986 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.653 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 10.5 pt-20 175.79 113.11 0.11 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.464 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.05 111.63 3.37 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.487 ' HG2' ' CA ' ' A' ' 8' ' ' GLY . 18.1 Cg_endo -75.03 -59.49 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 0.0 110.954 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.416 ' O ' ' HG2' ' A' ' 6' ' ' PRO . . . -137.83 64.44 0.56 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.456 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -41.69 126.93 3.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.756 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.461 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER 179.34 87.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.626 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -41.1 -24.62 0.1 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 110.961 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -39.78 -32.52 0.15 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 0.774 . . . . 0.0 110.286 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.9 t -132.77 -74.34 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 108.324 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.589 ' CE2' ' O ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -90.11 149.15 40.96 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.426 ' C ' ' N ' ' A' ' 26' ' ' ASP . 18.2 Cg_endo -75.02 11.74 1.38 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.504 1.792 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.555 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 7.7 mt-30 -44.12 -23.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.428 ' O ' ' O ' ' A' ' 28' ' ' LEU . 0.4 OUTLIER -49.91 -45.15 50.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.3 m0 -43.83 -37.23 2.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 108.05 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.555 ' CD1' ' HA ' ' A' ' 25' ' ' GLN . 3.7 mp -77.41 156.07 31.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.477 ' HA ' ' HB3' ' A' ' 41' ' ' GLU . 0.5 OUTLIER 44.65 77.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 108.295 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.492 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.7 OUTLIER -136.37 -51.55 0.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.492 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 179.1 -46.66 0.09 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.438 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -118.85 132.45 23.9 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 0.788 . . . . 0.0 109.585 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 135.3 18.84 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.515 1.797 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -157.02 70.37 0.62 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.442 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -133.34 -164.4 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 108.336 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 35' ' ' CYS . 27.9 t0 -37.31 -46.57 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.09 -63.39 1.01 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 155.16 42.87 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.409 ' C ' ' N ' ' A' ' 41' ' ' GLU . 13.1 ptm180 -111.64 -7.04 14.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.757 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.509 ' HB2' ' CD2' ' A' ' 28' ' ' LEU . 24.1 p-10 -45.92 -27.09 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.244 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.477 ' HB3' ' HA ' ' A' ' 29' ' ' CYS . 6.0 pt-20 -143.55 44.5 1.51 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 110.309 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -53.65 -81.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 108.045 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.07 48.77 3.39 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.405 ' CB ' ' HB2' ' A' ' 41' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 37.3 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.56 ' HG3' ' CD2' ' A' ' 19' ' ' HIS . 18.3 Cg_endo -75.02 156.36 42.9 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.447 1.762 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 118.57 5.32 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.461 1.769 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.414 ' HA3' ' OE1' ' A' ' 25' ' ' GLN . . . 178.01 83.18 0.06 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.465 1.103 . . . . 0.0 110.963 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.566 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 4.7 pm0 -121.94 152.21 39.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 110.295 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.684 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -166.03 -158.16 0.33 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.464 ' O ' ' CB ' ' A' ' 12' ' ' CYS . 3.1 ttt180 -113.96 12.17 17.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.684 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 5.2 t 85.58 56.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 108.246 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.4 p -142.61 7.82 1.71 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.655 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 12.8 pt-20 174.15 116.99 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.6 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.05 112.99 3.69 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.497 1.788 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.401 ' HG2' ' C ' ' A' ' 8' ' ' GLY . 18.2 Cg_endo -75.0 -70.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -141.85 101.16 0.27 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.63 126.15 9.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 0.734 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.56 ' CD2' ' HG3' ' A' ' 6' ' ' PRO . 0.9 OUTLIER 178.06 85.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.575 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -68.25 -1.57 21.46 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.46 -11.04 60.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.0 t -141.7 -78.9 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.133 . . . . 0.0 108.298 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.566 ' CE1' ' HB3' ' A' ' 9' ' ' GLN . 23.9 m-85 -88.19 167.0 20.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.403 ' O ' ' N ' ' A' ' 27' ' ' TRP . 18.4 Cg_endo -74.98 12.64 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.504 1.792 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.577 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 12.7 mt-30 -45.14 -37.42 4.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -53.07 -42.37 65.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 109.322 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.403 ' N ' ' O ' ' A' ' 24' ' ' PRO . 41.7 m95 -42.16 -44.57 3.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.164 . . . . 0.0 108.002 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.6 ' CB ' ' HB3' ' A' ' 15' ' ' PRO . 2.2 mp -64.6 152.8 41.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 28' ' ' LEU . 53.5 t 40.71 81.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 108.301 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.457 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.4 OUTLIER -136.57 -48.07 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.457 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 179.55 -49.7 0.09 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.506 1.128 . . . . 0.0 111.042 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.402 ' O ' ' CD ' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -127.01 153.44 76.48 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 0.762 . . . . 0.0 109.617 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 161.79 38.29 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.473 1.775 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -167.33 32.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 36' ' ' ASP . 5.3 m -113.98 -172.51 2.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 108.272 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 35' ' ' CYS . 0.5 OUTLIER -39.02 -57.93 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.01 -50.45 2.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.17 55.4 0.1 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.556 1.16 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -109.03 -15.07 14.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 0.0 110.328 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.49 ' CB ' ' CD2' ' A' ' 28' ' ' LEU . 4.9 p-10 -52.63 -21.4 3.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.275 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.464 ' CG ' ' OD2' ' A' ' 40' ' ' ASP . 0.8 OUTLIER -134.89 31.01 3.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 58.3 t-105 -51.6 -88.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 108.019 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.33 55.6 2.82 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 49.1 t . . . . . 0 C--N 1.325 -0.478 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.946 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.417 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 40.7 t . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 174.89 12.02 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.481 1.78 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 124.72 8.85 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.434 1.755 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.593 ' O ' ' CD2' ' A' ' 23' ' ' TYR . . . -177.09 79.5 0.07 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.543 ' HG3' ' CE1' ' A' ' 23' ' ' TYR . 1.4 tt0 -127.66 33.46 4.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 0.76 . . . . 0.0 110.249 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.675 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -66.17 -158.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.51 17.49 19.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.102 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.675 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 2.8 t 76.71 52.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 108.275 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.5 p -138.64 9.0 2.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.951 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.622 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.2 pt-20 176.2 113.41 0.12 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.309 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.579 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -75.0 111.16 3.26 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.492 1.785 . . . . 0.0 111.048 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.474 ' HD3' ' O ' ' A' ' 14' ' ' GLU . 18.2 Cg_endo -75.02 -62.34 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.535 1.808 . . . . 0.0 110.985 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -141.91 96.21 0.2 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.494 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -57.58 125.75 24.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 0.772 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 178.43 85.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.627 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.445 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -50.08 -18.99 2.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -41.11 -37.46 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 110.312 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 38.1 t -123.02 -79.99 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 108.274 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CD2' ' O ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -89.31 155.42 49.0 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.571 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 18.2 Cg_endo -75.04 34.06 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.783 . . . . 0.0 110.98 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.501 ' OE1' ' CB ' ' A' ' 23' ' ' TYR . 8.2 mt-30 -58.5 -21.51 52.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.39 -41.2 93.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -45.27 -31.09 1.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 108.02 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.579 ' CB ' ' HB3' ' A' ' 15' ' ' PRO . 4.6 mp -77.51 151.69 34.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.493 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 47.4 t 43.32 73.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 108.33 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.53 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.3 OUTLIER -132.33 -53.04 0.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.53 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 177.17 -45.09 0.1 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.442 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 13.5 t60 -119.84 127.84 26.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 109.649 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.465 ' HB2' ' CA ' ' A' ' 38' ' ' GLY . 18.3 Cg_endo -74.99 114.46 4.03 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.463 1.77 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.461 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -127.27 54.31 1.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.7 OUTLIER -114.73 -167.8 1.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 108.301 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 35' ' ' CYS . 22.1 t70 -40.01 -51.39 2.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -124.36 -48.45 1.83 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.465 ' CA ' ' HB2' ' A' ' 33' ' ' PRO . . . 136.97 69.62 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.546 1.154 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -137.65 10.92 2.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.505 ' HB2' ' CG ' ' A' ' 28' ' ' LEU . 2.0 p-10 -75.72 -2.32 29.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.493 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 7.8 pt-20 -154.67 26.14 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -50.28 -80.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 108.001 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.99 46.64 2.98 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 36.7 t . . . . . 0 C--N 1.325 -0.478 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.413 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 26.0 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 171.62 17.96 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.471 1.774 . . . . 0.0 110.974 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 141.66 26.72 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.618 ' O ' ' CE2' ' A' ' 23' ' ' TYR . . . 178.68 82.11 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.69 31.05 5.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.669 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -65.85 -158.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 111.023 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.66 18.62 17.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.669 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 4.9 t 75.97 52.56 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 108.314 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.4 p -137.81 8.44 2.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.996 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.618 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.7 pt-20 175.92 113.79 0.12 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 110.339 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.58 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.95 110.98 3.22 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.463 1.77 . . . . 0.0 110.977 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.484 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.4 Cg_endo -74.97 -60.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.524 1.802 . . . . 0.0 111.027 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -139.14 94.44 0.2 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.117 . . . . 0.0 110.944 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.501 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -68.66 122.17 17.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 0.732 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 178.81 86.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.603 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.476 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -41.83 -23.96 0.15 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.461 1.101 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 19' ' ' HIS . 4.0 tp10 -40.75 -29.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 0.786 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.418 ' N ' ' C ' ' A' ' 20' ' ' GLY . 44.5 t -130.02 -82.3 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 108.303 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.618 ' CE2' ' O ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -88.71 159.15 46.91 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 111.008 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.562 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -74.99 13.39 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.461 1.769 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.501 ' CB ' ' HA ' ' A' ' 18' ' ' ALA . 15.6 mt-30 -41.75 -26.96 0.09 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 110.261 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -47.26 -47.4 24.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.427 ' C ' ' O ' ' A' ' 26' ' ' ASP . 16.4 m0 -40.49 -44.56 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 107.968 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.58 ' CB ' ' HB3' ' A' ' 15' ' ' PRO . 4.3 mp -63.41 146.91 52.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.474 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 52.5 t 43.86 75.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 108.303 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.531 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -134.56 -52.33 0.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.531 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 178.21 -46.15 0.09 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.532 1.145 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.437 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -124.44 138.14 30.51 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 0.744 . . . . 0.0 109.587 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.43 ' N ' ' OE2' ' A' ' 41' ' ' GLU . 18.2 Cg_endo -75.04 145.03 30.82 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.781 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.74 26.76 1.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.42 ' SG ' ' O ' ' A' ' 12' ' ' CYS . 9.6 m -98.23 -173.26 2.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 108.274 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -39.55 -51.96 2.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.9 -51.9 2.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.415 ' CA ' ' HB2' ' A' ' 33' ' ' PRO . . . 138.88 74.22 0.05 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -132.1 7.38 4.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.581 0.813 . . . . 0.0 110.286 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.529 ' CB ' ' CD2' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -76.07 -1.98 28.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.474 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 8.3 pt-20 -151.7 25.05 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.497 ' CG ' ' N ' ' A' ' 43' ' ' GLY . 3.4 t90 -50.33 -83.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.497 ' N ' ' CG ' ' A' ' 42' ' ' TRP . . . -78.08 48.5 3.05 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 18.8 t . . . . . 0 C--N 1.326 -0.452 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.6 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.478 ' CG ' ' HB2' ' A' ' 19' ' ' HIS . 18.2 Cg_endo -75.02 174.94 11.93 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.518 1.799 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.436 ' O ' ' HG2' ' A' ' 16' ' ' PRO . 18.3 Cg_endo -75.01 151.64 39.73 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.782 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 176.59 79.52 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.483 1.115 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -132.24 21.03 4.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 0.796 . . . . 0.0 110.334 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.68 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -67.44 -156.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.416 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -115.32 19.31 15.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.68 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 34.9 t 73.52 55.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 108.297 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.7 p -144.57 9.23 1.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.007 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.533 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 7.7 pt-20 174.39 108.94 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.475 ' HG3' ' HB3' ' A' ' 28' ' ' LEU . 18.5 Cg_endo -74.98 111.69 3.39 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.44 ' HD3' ' O ' ' A' ' 14' ' ' GLU . 18.4 Cg_endo -74.96 -42.87 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.535 1.808 . . . . 0.0 111.051 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -158.27 99.0 0.18 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.122 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.496 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -71.69 129.43 38.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 0.746 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.478 ' HB2' ' CG ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER 179.16 86.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.613 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -48.7 -20.65 1.82 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -48.41 -23.32 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 0.79 . . . . 0.0 110.289 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 10.2 t -137.17 -76.46 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 108.299 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.443 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 15.4 m-85 -92.76 157.11 40.2 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.42 ' C ' ' N ' ' A' ' 26' ' ' ASP . 18.2 Cg_endo -75.04 7.6 2.81 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.496 1.787 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.532 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 22.4 mm-40 -45.76 -23.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.446 ' O ' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -55.69 -46.02 77.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.261 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' ASP . 21.5 m95 -41.07 -37.42 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 108.008 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.59 ' CD2' ' HB2' ' A' ' 40' ' ' ASP . 2.5 mp -77.97 149.97 34.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.451 ' HA ' ' HB3' ' A' ' 41' ' ' GLU . 0.5 OUTLIER 52.32 71.32 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 108.315 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.531 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.3 OUTLIER -134.15 -52.16 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.531 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 178.71 -45.89 0.09 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.514 1.134 . . . . 0.0 111.044 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.447 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -119.73 135.08 23.97 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.513 0.772 . . . . 0.0 109.584 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 151.23 39.12 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.523 1.801 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -159.12 47.71 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.425 ' SG ' ' O ' ' A' ' 12' ' ' CYS . 0.8 OUTLIER -120.13 -169.15 1.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 108.284 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 35' ' ' CYS . 2.0 t70 -38.86 -56.83 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -114.72 -60.64 1.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 148.35 43.67 0.03 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -102.43 -10.96 18.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.59 ' HB2' ' CD2' ' A' ' 28' ' ' LEU . 19.9 p-10 -45.79 -27.36 0.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.451 ' HB3' ' HA ' ' A' ' 29' ' ' CYS . 7.1 pt-20 -140.33 38.26 1.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 61.6 t-105 -50.89 -84.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 107.957 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.78 48.32 3.23 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 44.4 t . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 174.27 13.08 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.492 1.785 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 127.01 10.37 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.505 1.792 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.495 ' CA ' ' HG2' ' A' ' 16' ' ' PRO . . . 178.3 81.67 0.06 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.447 1.092 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -126.07 35.9 4.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.757 . . . . 0.0 110.331 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.673 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -68.71 -158.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.447 1.092 . . . . 0.0 110.973 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.2 17.31 18.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.673 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 5.7 t 77.45 53.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 108.269 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.7 p -139.16 8.64 2.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.002 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.592 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 13.1 pt-20 175.3 112.32 0.1 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.559 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.0 110.98 3.22 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 111.0 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.495 ' HG2' ' CA ' ' A' ' 8' ' ' GLY . 18.4 Cg_endo -75.03 -62.92 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.462 1.769 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.72 89.37 0.17 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.01 134.34 13.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.787 . . . . 0.0 109.329 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 179.06 87.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.63 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.467 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -58.52 -11.76 11.17 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.528 1.142 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -55.89 -30.92 62.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 0.771 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.7 t -125.52 -77.4 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.122 . . . . 0.0 108.32 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.467 ' CD2' ' O ' ' A' ' 8' ' ' GLY . 7.4 m-85 -89.03 158.31 47.19 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 14.0 0.93 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.506 1.793 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.449 ' CD ' ' HA3' ' A' ' 8' ' ' GLY . 1.7 mt-30 -46.64 -25.57 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.333 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -52.81 -42.7 65.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 44.7 m95 -45.87 -34.21 3.69 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.559 ' CB ' ' HB3' ' A' ' 15' ' ' PRO . 4.7 mp -77.18 156.84 31.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.432 ' HA ' ' HB3' ' A' ' 41' ' ' GLU . 0.1 OUTLIER 45.72 72.25 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 108.35 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.482 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.4 OUTLIER -131.93 -49.3 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.482 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 179.14 -49.24 0.09 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.436 ' O ' ' OE2' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -126.89 144.76 51.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 109.614 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 154.89 42.59 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.453 1.765 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -168.96 33.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -94.13 -164.87 1.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 108.293 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' CYS . 0.3 OUTLIER -39.59 -51.4 2.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -116.44 -61.9 1.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 150.77 60.6 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -134.96 18.75 3.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 110.276 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.52 ' CB ' ' CD2' ' A' ' 28' ' ' LEU . 5.6 p-10 -80.53 2.24 26.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.443 ' OE2' ' OD2' ' A' ' 40' ' ' ASP . 0.1 OUTLIER -163.73 38.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 41.3 t-105 -51.53 -90.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 108.027 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.07 46.56 2.98 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.445 1.09 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 13.8 t . . . . . 0 C--N 1.325 -0.474 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 23.1 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.419 ' HG2' ' O ' ' A' ' 17' ' ' GLY . 18.2 Cg_endo -75.01 174.82 12.13 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 141.39 26.65 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.515 1.797 . . . . 0.0 110.998 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.494 ' HA2' ' CG ' ' A' ' 16' ' ' PRO . . . 178.91 81.05 0.06 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.138 . . . . 0.0 111.022 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -123.29 27.34 7.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 0.783 . . . . 0.0 110.263 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.653 ' CD2' ' O ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -62.98 -154.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.963 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.94 18.71 16.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.634 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 19.3 t 73.88 53.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 108.312 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.9 t -140.4 9.72 2.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.992 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.653 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.5 pt-20 176.33 113.53 0.12 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.269 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.496 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.06 110.48 3.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.494 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.3 Cg_endo -74.97 -52.3 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.457 1.767 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.448 ' O ' ' NE2' ' A' ' 25' ' ' GLN . . . -138.59 59.51 0.6 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.12 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.46 ' HA ' ' CG ' ' A' ' 25' ' ' GLN . . . -38.52 118.73 0.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 0.765 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.472 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER 179.48 86.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.636 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 22' ' ' CYS . . . -40.26 -25.34 0.08 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 19' ' ' HIS . 3.0 tp10 -39.48 -28.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 0.733 . . . . 0.0 110.331 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' GLY . 11.4 t -138.35 -71.48 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 108.326 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.417 ' HB2' ' NE2' ' A' ' 25' ' ' GLN . 9.7 m-85 -90.66 137.71 26.97 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 111.049 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.599 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 18.4 Cg_endo -74.95 3.5 5.54 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.447 1.762 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.487 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -53.23 -15.99 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 24' ' ' PRO . 0.8 OUTLIER -47.87 -42.17 25.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 24' ' ' PRO . 51.3 m95 -45.84 -42.72 12.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 108.0 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.537 HD22 ' CB ' ' A' ' 40' ' ' ASP . 5.2 mp -61.77 149.36 40.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.501 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 0.8 OUTLIER 43.76 74.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 108.306 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.539 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -135.7 -52.6 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.539 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 178.31 -45.41 0.09 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.425 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.8 OUTLIER -115.4 135.14 22.54 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.538 0.787 . . . . 0.0 109.639 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 127.1 10.38 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.504 1.792 . . . . 0.0 110.97 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -155.82 69.83 0.68 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -134.79 -162.75 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 108.324 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 35' ' ' CYS . 12.5 t70 -37.62 -49.11 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -126.58 -59.45 1.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 151.74 44.0 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.563 1.164 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.578 ' HB3' ' CE3' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -116.63 -3.76 11.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.774 . . . . 0.0 110.332 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.537 ' CB ' HD22 ' A' ' 28' ' ' LEU . 37.7 p-10 -46.09 -28.91 1.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.501 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 5.2 pt-20 -138.06 39.9 2.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.25 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.578 ' CE3' ' HB3' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -51.61 -83.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 107.998 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.51 45.85 2.95 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.467 1.104 . . . . 0.0 111.041 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.411 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 4.0 t . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.462 ' CG ' ' HB2' ' A' ' 19' ' ' HIS . 18.4 Cg_endo -75.03 174.88 12.02 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.484 1.781 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 151.68 39.98 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.457 1.767 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.494 ' HA3' ' CG ' ' A' ' 25' ' ' GLN . . . 178.57 81.29 0.06 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -141.82 22.36 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 0.788 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.745 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -67.58 -159.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.578 ' O ' ' CB ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -106.07 -2.39 22.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.261 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.745 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 4.4 t 93.87 55.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 108.29 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.03 10.44 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.45 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.2 pt-20 175.2 108.38 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.496 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.98 112.98 3.69 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.506 1.793 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.413 ' HG2' ' HA2' ' A' ' 8' ' ' GLY . 18.4 Cg_endo -75.05 -39.32 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.511 1.795 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.439 ' O ' ' CB ' ' A' ' 25' ' ' GLN . . . -164.68 114.43 0.6 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.455 1.097 . . . . 0.0 111.044 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.475 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -84.57 126.44 33.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 0.79 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.462 ' HB2' ' CG ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER 179.38 83.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.611 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -46.21 -22.47 0.93 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -49.49 -22.7 1.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 0.812 . . . . 0.0 110.324 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.411 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 16.6 t -133.5 -78.58 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 108.284 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.462 ' CD2' ' N ' ' A' ' 8' ' ' GLY . 7.3 m-85 -94.64 158.76 34.86 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.405 ' C ' ' N ' ' A' ' 26' ' ' ASP . 18.2 Cg_endo -74.98 11.01 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.533 1.807 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.583 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 79.2 mm-40 -46.86 -23.61 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' A' ' 28' ' ' LEU . 23.0 t0 -52.36 -41.31 62.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.424 ' O ' ' OD1' ' A' ' 30' ' ' ASP . 56.2 m95 -44.27 -41.44 5.93 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.583 ' CD1' ' HA ' ' A' ' 25' ' ' GLN . 3.5 mp -68.35 157.24 36.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER 41.2 80.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 108.307 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.465 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 3.1 p-10 -139.95 -59.2 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 179.16 -39.16 0.08 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.421 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.5 OUTLIER -127.17 136.12 28.41 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.585 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 32' ' ' HIS . 18.2 Cg_endo -75.04 151.94 39.94 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.532 1.806 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -149.3 31.24 0.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 36' ' ' ASP . 6.8 m -106.13 -173.18 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 108.281 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 35' ' ' CYS . 22.7 t70 -38.54 -55.04 1.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.59 -51.86 2.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 138.67 74.77 0.06 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -129.7 7.04 5.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 110.286 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.473 ' CB ' HD23 ' A' ' 28' ' ' LEU . 1.6 p-10 -75.83 -1.41 25.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.432 ' OE1' ' OD1' ' A' ' 30' ' ' ASP . 7.3 pt-20 -157.26 25.35 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -50.37 -79.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 107.982 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.45 50.13 3.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.538 1.149 . . . . 0.0 110.966 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.404 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 35.6 t . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 174.65 12.41 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.502 1.79 . . . . 0.0 110.973 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 144.73 30.62 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.594 ' O ' ' CE2' ' A' ' 23' ' ' TYR . . . 179.2 81.09 0.06 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -125.83 29.99 5.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.695 ' CD2' ' O ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -67.28 -154.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -112.48 16.27 19.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.238 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.647 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 12.1 t 74.64 55.7 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.133 . . . . 0.0 108.331 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.9 p -142.74 11.82 1.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.01 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.695 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 12.7 pt-20 176.39 114.97 0.13 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.469 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.98 110.47 3.12 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.492 ' HD3' ' O ' ' A' ' 14' ' ' GLU . 18.2 Cg_endo -75.08 -56.51 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.554 1.818 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -131.58 61.9 0.65 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.53 1.144 . . . . 0.0 111.026 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.494 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -42.18 115.87 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.462 ' C ' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 178.8 89.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.539 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -43.89 -21.12 0.18 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.462 ' N ' ' C ' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -39.23 -38.35 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 110.326 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.404 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 32.4 t -124.28 -77.22 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 108.295 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.594 ' CE2' ' O ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -89.31 151.7 46.76 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.426 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 18.2 Cg_endo -75.04 27.54 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.455 1.766 . . . . 0.0 110.989 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.494 ' CB ' ' HA ' ' A' ' 18' ' ' ALA . 7.6 mt-30 -54.67 -23.08 15.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -52.11 -44.78 64.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.092 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.412 ' O ' ' OD1' ' A' ' 30' ' ' ASP . 34.8 m95 -43.91 -33.78 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 108.015 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.526 HD21 ' CB ' ' A' ' 40' ' ' ASP . 4.3 mp -77.86 150.69 34.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.24 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.448 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 14.6 t 47.82 76.46 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 108.331 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.511 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 1.1 p-10 -136.79 -66.82 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 176.71 -32.66 0.08 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.432 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.6 OUTLIER -116.08 120.06 35.9 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.542 0.789 . . . . 0.0 109.642 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.436 ' N ' ' OE2' ' A' ' 41' ' ' GLU . 18.3 Cg_endo -74.99 125.3 9.24 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.514 1.797 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -145.2 31.35 1.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.6 OUTLIER -100.21 -166.63 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 108.306 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 35' ' ' CYS . 2.4 t0 -38.24 -54.74 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.354 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -119.41 -57.23 2.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 145.51 44.3 0.04 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -111.07 -7.9 14.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.526 ' CB ' HD21 ' A' ' 28' ' ' LEU . 45.1 p-10 -46.16 -29.08 1.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.452 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 3.2 pt-20 -123.19 27.76 7.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 40.7 t90 -51.08 -91.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 108.005 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.15 51.23 3.2 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 13.0 t . . . . . 0 C--N 1.325 -0.489 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.1 p -41.21 154.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 0.73 . . . . 0.0 109.979 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.7 m -89.97 79.36 6.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.025 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.54 137.63 56.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.263 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.9 t 179.49 73.16 0.15 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 108.303 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.593 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 18.2 Cg_endo -74.98 173.96 13.6 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.477 1.777 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.414 ' O ' ' HG2' ' A' ' 16' ' ' PRO . 18.2 Cg_endo -74.95 154.1 42.49 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.478 1.778 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.466 ' HA3' ' CG ' ' A' ' 25' ' ' GLN . . . 177.32 78.07 0.05 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.19 20.32 3.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.725 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -65.11 -158.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.03 16.92 20.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.265 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.725 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 5.6 t 74.85 56.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 108.287 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.8 p -146.35 10.27 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.038 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.508 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.8 pt-20 174.1 109.55 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.272 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.576 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.04 112.0 3.46 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.477 1.777 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' A' ' 14' ' ' GLU . 18.2 Cg_endo -75.02 -43.78 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.548 1.815 . . . . 0.0 110.95 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -160.05 106.56 0.29 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.499 1.125 . . . . 0.0 111.022 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.478 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -76.67 127.87 33.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.773 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.477 ' HB2' ' CG ' ' A' ' 6' ' ' PRO . 1.6 m-70 179.07 85.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.17 . . . . 0.0 109.633 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.485 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -50.22 -18.3 2.15 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 19' ' ' HIS . 3.6 tp10 -51.33 -27.97 11.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 0.78 . . . . 0.0 110.283 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.1 t -129.57 -78.19 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 108.352 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 6' ' ' PRO . 83.0 m-85 -89.36 159.58 44.15 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 111.045 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.426 ' C ' ' N ' ' A' ' 26' ' ' ASP . 18.0 Cg_endo -75.04 5.56 3.93 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.572 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 45.3 mm-40 -42.39 -25.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.426 ' N ' ' C ' ' A' ' 24' ' ' PRO . 0.3 OUTLIER -47.15 -45.02 22.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.357 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 24.0 m95 -41.73 -48.7 4.26 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.576 ' CB ' ' HB3' ' A' ' 15' ' ' PRO . 2.6 mp -58.18 151.36 19.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 28' ' ' LEU . 15.6 t 39.38 80.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 108.303 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.518 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -137.88 -51.67 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.246 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.518 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 178.62 -46.0 0.09 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.599 ' CD2' ' O ' ' A' ' 33' ' ' PRO . 28.7 t60 -123.66 142.48 39.27 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.486 0.757 . . . . 0.0 109.593 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.599 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 18.2 Cg_endo -75.04 144.9 30.65 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.474 1.776 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.16 38.24 1.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 36' ' ' ASP . 5.3 m -118.14 -172.53 2.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 108.317 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 35' ' ' CYS . 0.5 OUTLIER -38.99 -63.46 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.09 -49.52 3.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.37 67.1 0.08 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.557 1.161 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -119.95 -5.93 10.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 110.278 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.499 ' HB2' ' CD2' ' A' ' 28' ' ' LEU . 4.3 p-10 -66.08 -15.22 62.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 1.027 ' OE2' 'CA ' ' A' ' 48' ' ' ' CA' . 0.8 OUTLIER -135.43 18.19 3.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.244 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -51.42 -77.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 108.013 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.33 53.67 3.14 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 32.7 t -147.48 -47.99 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.68 -72.34 0.49 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.8 t -49.1 130.15 18.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 0.771 . . . . 0.0 110.417 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 73.9 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.016 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ' CA' . . . . . 1.027 'CA ' ' OE2' ' A' ' 41' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -117.23 156.46 27.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.988 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.5 p 44.36 90.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.021 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -140.9 173.27 11.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.3 t 178.84 74.86 0.14 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 108.237 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.61 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -74.99 174.47 12.73 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.519 1.8 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.417 ' O ' ' HG2' ' A' ' 16' ' ' PRO . 18.2 Cg_endo -75.08 151.65 39.42 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.482 1.78 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.514 ' O ' ' CD2' ' A' ' 23' ' ' TYR . . . 176.37 84.39 0.06 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.459 1.1 . . . . 0.0 110.951 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.04 26.62 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 0.0 110.277 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.747 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -71.56 -158.86 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 111.008 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.59 17.18 19.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.334 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.747 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 7.2 t 75.82 56.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 108.33 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 p -145.35 9.9 1.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.03 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.51 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.8 pt-20 175.06 108.41 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.331 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.516 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.98 111.64 3.37 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.484 1.781 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.455 ' HD2' ' OE1' ' A' ' 25' ' ' GLN . 18.4 Cg_endo -74.92 -51.85 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.491 1.785 . . . . 0.0 111.016 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -150.05 99.09 0.19 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 111.052 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.95 126.63 30.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 0.773 . . . . 0.0 109.285 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.412 ' C ' ' N ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER 179.26 84.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.625 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -44.44 -23.96 0.57 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.444 1.09 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 19' ' ' HIS . 4.9 tp10 -42.48 -27.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.753 . . . . 0.0 110.332 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.417 ' N ' ' C ' ' A' ' 20' ' ' GLY . 5.2 t -136.75 -74.43 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 108.299 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.61 ' CD1' ' O ' ' A' ' 6' ' ' PRO . 79.2 m-85 -89.54 150.84 45.14 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.404 ' C ' ' N ' ' A' ' 26' ' ' ASP . 18.1 Cg_endo -75.02 7.62 2.79 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.455 ' OE1' ' HD2' ' A' ' 16' ' ' PRO . 47.5 mm-40 -48.06 -22.87 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.404 ' N ' ' C ' ' A' ' 24' ' ' PRO . 2.7 t70 -53.25 -39.04 63.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -48.3 -35.27 11.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 107.989 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.524 ' CD2' ' CB ' ' A' ' 40' ' ' ASP . 5.0 mp -70.64 150.47 45.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.465 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 0.8 OUTLIER 49.22 78.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 108.293 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.484 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 2.4 p-10 -139.64 -62.0 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.74 -35.69 0.08 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.53 1.143 . . . . 0.0 110.97 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.423 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 1.7 m-70 -122.24 129.81 24.95 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.66 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 143.49 29.06 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.52 1.8 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -142.49 35.24 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.408 ' SG ' ' O ' ' A' ' 12' ' ' CYS . 18.0 m -112.44 -174.16 2.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 108.342 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -40.37 -50.35 2.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.16 -55.04 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 140.57 61.61 0.04 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -112.07 -6.68 14.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.767 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.524 ' CB ' ' CD2' ' A' ' 28' ' ' LEU . 2.5 p-10 -60.78 -14.96 24.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.465 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 5.8 pt-20 -147.79 31.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 45.5 t-105 -51.17 -86.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 108.011 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.66 50.88 3.32 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 0.0 111.0 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -121.12 -39.98 2.65 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.02 98.18 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.531 1.144 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.5 t -129.05 139.09 52.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.766 . . . . 0.0 110.413 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.006 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.0 p -178.08 126.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 110.036 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m 59.24 74.81 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.988 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.546 ' HB3' ' CD2' ' A' ' 19' ' ' HIS . 0.9 OUTLIER -108.49 156.17 19.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 32.3 t 179.18 73.83 0.15 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 108.31 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 174.31 13.0 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.502 1.791 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 128.06 11.19 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.449 1.763 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.558 ' O ' ' CD1' ' A' ' 23' ' ' TYR . . . 179.82 80.47 0.06 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.576 1.172 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -126.5 28.49 5.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.654 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -61.0 -156.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.85 17.32 18.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.654 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 1.9 t 76.25 49.88 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 108.307 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.61 8.71 3.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.974 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.643 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.8 pt-20 176.43 113.81 0.13 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.501 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.01 111.42 3.32 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.471 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.3 Cg_endo -74.97 -65.41 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.469 ' O ' ' NE2' ' A' ' 25' ' ' GLN . . . -141.92 85.25 0.2 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.462 ' HA ' ' CG ' ' A' ' 25' ' ' GLN . . . -42.13 131.5 3.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.546 ' CD2' ' HB3' ' A' ' 4' ' ' ARG . 0.1 OUTLIER 178.85 84.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 109.588 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -57.13 -13.5 9.45 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.67 -16.57 11.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.75 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.0 t -142.74 -73.28 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 108.329 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.558 ' CD1' ' O ' ' A' ' 8' ' ' GLY . 21.1 m-85 -88.44 143.57 32.54 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 6.64 3.26 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.455 1.766 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.512 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -58.24 -12.62 3.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 110.335 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -61.15 -20.32 62.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 24.8 m0 -69.32 -23.48 63.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 107.978 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.512 ' CD1' ' HA ' ' A' ' 25' ' ' GLN . 5.7 mp -72.04 152.37 42.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.472 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 0.5 OUTLIER 47.04 78.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 108.305 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.492 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 2.2 p-10 -139.91 -62.52 0.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.78 -35.1 0.08 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.422 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 8.1 m-70 -116.79 121.26 33.1 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 109.591 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 112.63 3.6 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.472 1.775 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.22 59.88 1.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.29 -161.49 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 108.308 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.53 -45.64 3.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -132.33 -56.2 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 148.17 46.65 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.9 ptm85 -114.6 -12.12 12.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 0.772 . . . . 0.0 110.267 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.509 ' CB ' HD21 ' A' ' 28' ' ' LEU . 2.3 p-10 -46.02 -27.46 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.472 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 5.2 pt-20 -135.39 36.37 2.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 10.1 t90 -52.3 -89.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 108.008 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.33 52.2 3.38 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.79 -4.55 11.6 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.84 89.8 0.31 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.3 t -123.97 142.12 51.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.758 . . . . 0.0 110.391 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.98 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.95 -46.3 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 109.972 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.87 -67.85 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 110.004 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -147.31 65.81 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.319 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.6 t 178.93 75.26 0.15 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 108.298 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 173.26 14.82 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.496 1.788 . . . . 0.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 131.05 13.99 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.455 1.766 . . . . 0.0 111.043 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.592 ' O ' ' CD1' ' A' ' 23' ' ' TYR . . . 179.03 80.35 0.06 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.64 31.28 5.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.681 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -63.53 -156.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.87 18.01 17.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.681 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 7.7 t 75.38 51.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 108.255 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.1 p -137.66 8.8 2.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.628 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.3 pt-20 176.24 113.43 0.12 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.509 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.97 112.2 3.5 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.504 1.791 . . . . 0.0 110.99 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.47 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.2 Cg_endo -75.05 -66.23 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.488 1.783 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.469 ' O ' ' NE2' ' A' ' 25' ' ' GLN . . . -140.93 87.55 0.19 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.445 1.091 . . . . 0.0 111.016 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -42.41 131.18 3.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.473 ' N ' HE21 ' A' ' 25' ' ' GLN . 0.1 OUTLIER 178.68 86.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.611 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.94 -10.66 20.86 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.122 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -63.96 -11.58 29.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 0.79 . . . . 0.0 110.258 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.5 t -144.01 -74.34 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 108.295 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.592 ' CD1' ' O ' ' A' ' 8' ' ' GLY . 21.9 m-85 -89.63 144.91 32.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 8.41 2.4 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.523 1.801 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.518 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -60.28 -10.22 4.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -60.78 -24.0 65.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.298 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 49.8 m95 -65.54 -21.8 66.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 107.974 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.518 ' CD1' ' HA ' ' A' ' 25' ' ' GLN . 5.5 mp -75.96 151.82 37.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.258 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.409 ' HA ' ' HB3' ' A' ' 41' ' ' GLU . 0.7 OUTLIER 49.5 75.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 108.305 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 2.1 p-10 -137.49 -62.42 0.61 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.406 ' C ' ' OE2' ' A' ' 41' ' ' GLU . . . 178.59 -35.87 0.08 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.422 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -120.52 122.76 28.46 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 109.605 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.421 ' HB2' ' CA ' ' A' ' 38' ' ' GLY . 18.3 Cg_endo -74.98 126.7 10.15 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -139.84 49.91 1.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.8 OUTLIER -116.48 -168.25 1.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 108.259 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 35' ' ' CYS . 27.0 t70 -38.15 -51.16 1.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -124.75 -56.96 1.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.421 ' CA ' ' HB2' ' A' ' 33' ' ' PRO . . . 146.16 51.5 0.03 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -114.87 1.76 14.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.503 ' CB ' HD22 ' A' ' 28' ' ' LEU . 1.5 p-10 -64.31 -12.82 45.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.422 ' OE2' ' C ' ' A' ' 32' ' ' HIS . 6.2 pt-20 -147.37 24.42 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -51.98 -77.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 108.043 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.25 45.84 2.89 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.476 1.11 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -118.26 -3.18 11.04 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.33 80.26 0.4 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.5 t -103.69 133.54 48.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 110.364 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.005 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 174.93 -53.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.753 . . . . 0.0 110.049 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.11 86.89 1.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.993 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -158.23 166.91 31.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.414 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 42.1 t 179.18 75.87 0.16 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 108.316 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.73 12.28 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.466 1.771 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 126.14 9.74 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.482 1.78 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.587 ' O ' ' CD2' ' A' ' 23' ' ' TYR . . . 179.87 80.72 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.485 ' CG ' ' OH ' ' A' ' 23' ' ' TYR . 2.1 tt0 -127.18 31.51 5.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 110.291 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.687 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -64.03 -156.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 111.053 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -113.56 17.06 18.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.34 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.687 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 0.5 OUTLIER 76.62 51.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 108.317 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.3 p -137.49 8.62 2.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.977 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.627 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.3 pt-20 176.15 113.39 0.12 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.346 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.548 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.03 111.9 3.43 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.799 . . . . 0.0 110.966 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.482 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.2 Cg_endo -75.02 -64.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.521 1.8 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.57 92.93 0.18 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.446 ' HA ' ' CG ' ' A' ' 25' ' ' GLN . . . -49.09 132.11 19.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.776 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 178.37 85.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.58 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -57.75 -12.87 11.16 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.457 1.098 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER -54.42 -19.78 6.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 0.755 . . . . 0.0 110.293 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.414 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 26.6 t -136.62 -79.44 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 108.318 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.587 ' CD2' ' O ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -89.64 151.76 46.2 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.46 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 18.1 Cg_endo -75.02 13.16 1.07 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.539 1.81 . . . . 0.0 110.957 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.523 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -56.33 -14.95 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.321 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.83 -28.34 68.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 58.7 m95 -58.62 -25.4 62.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 107.997 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.548 ' CB ' ' HB3' ' A' ' 15' ' ' PRO . 5.0 mp -70.65 147.75 48.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.483 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 0.7 OUTLIER 46.85 73.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 108.301 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.55 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.2 OUTLIER -133.11 -53.02 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.55 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 177.99 -44.74 0.09 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.437 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.2 OUTLIER -117.1 128.65 25.88 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 109.621 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.464 ' HB2' ' CA ' ' A' ' 38' ' ' GLY . 18.4 Cg_endo -75.0 110.1 3.05 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.522 1.801 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -129.73 55.86 1.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -119.94 -165.12 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 108.332 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 35' ' ' CYS . 20.2 t0 -39.48 -50.17 2.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.28 -57.71 1.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.464 ' CA ' ' HB2' ' A' ' 33' ' ' PRO . . . 148.31 44.45 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.453 ' CZ ' ' HB2' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -109.14 -14.85 14.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 0.737 . . . . 0.0 110.344 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.536 ' CB ' ' CD2' ' A' ' 28' ' ' LEU . 5.0 p-10 -46.06 -26.39 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.483 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 8.1 pt-20 -138.41 34.35 2.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.533 ' CG ' ' N ' ' A' ' 43' ' ' GLY . 2.0 t-105 -50.75 -86.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 108.039 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.533 ' N ' ' CG ' ' A' ' 42' ' ' TRP . . . -77.4 50.86 3.23 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.501 1.125 . . . . 0.0 111.001 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.83 -7.78 12.62 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.97 106.27 1.26 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.512 1.132 . . . . 0.0 111.036 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.9 p -66.21 128.14 34.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 0.779 . . . . 0.0 110.394 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 75.5 m . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 m -41.74 162.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.9 m 56.59 107.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.962 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.1 161.7 2.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.4 t 179.61 74.65 0.16 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 108.283 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 174.11 13.35 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.462 1.77 . . . . 0.0 111.002 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 131.28 14.17 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.555 1.818 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.488 ' CA ' ' HG2' ' A' ' 16' ' ' PRO . . . 178.59 82.06 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -126.9 33.96 4.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.685 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -66.84 -158.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.08 17.6 18.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.685 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 2.0 t 76.87 51.48 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 108.351 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 p -136.9 8.71 3.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.997 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.628 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 12.1 pt-20 175.92 113.77 0.12 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.546 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -75.01 110.53 3.14 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.511 1.795 . . . . 0.0 111.021 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.493 ' HD3' ' O ' ' A' ' 14' ' ' GLU . 18.3 Cg_endo -74.97 -65.29 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -140.58 85.53 0.21 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.125 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.439 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -55.59 132.74 49.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.42 ' C ' ' N ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER 179.01 84.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.122 . . . . 0.0 109.568 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.44 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -43.32 -24.12 0.33 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.136 . . . . 0.0 111.045 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.42 ' N ' ' C ' ' A' ' 19' ' ' HIS . 3.0 tp10 -40.96 -29.2 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 0.761 . . . . 0.0 110.29 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.415 ' N ' ' C ' ' A' ' 20' ' ' GLY . 7.3 t -136.24 -74.19 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 108.288 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.601 ' CG ' ' NE2' ' A' ' 25' ' ' GLN . 15.5 m-85 -88.76 148.87 42.61 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 111.043 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.456 ' C ' ' N ' ' A' ' 26' ' ' ASP . 18.1 Cg_endo -75.03 9.59 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.601 ' NE2' ' CG ' ' A' ' 23' ' ' TYR . 13.8 mt-30 -40.74 -26.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.456 ' N ' ' C ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -44.95 -47.08 11.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.401 ' C ' ' O ' ' A' ' 26' ' ' ASP . 47.6 m95 -41.45 -44.31 2.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 107.979 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.546 ' CB ' ' HB3' ' A' ' 15' ' ' PRO . 4.3 mp -61.57 147.57 45.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.494 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 35.9 t 45.31 75.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 108.291 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.519 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -135.6 -52.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.519 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 178.12 -45.71 0.09 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.554 1.159 . . . . 0.0 110.975 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.42 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -119.14 129.67 25.27 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 109.6 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.72 4.67 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.528 1.804 . . . . 0.0 110.994 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.67 57.6 1.8 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -116.68 -164.09 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 108.304 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 35' ' ' CYS . 19.6 t0 -39.29 -48.48 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -129.87 -53.83 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 147.63 70.22 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -143.13 15.09 1.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.533 ' CB ' HD21 ' A' ' 28' ' ' LEU . 1.9 p-10 -78.76 -1.55 35.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.494 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 10.3 pt-20 -155.72 25.6 0.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.601 ' CG ' ' N ' ' A' ' 43' ' ' GLY . 9.6 p-90 -60.7 -59.11 5.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 108.008 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.601 ' N ' ' CG ' ' A' ' 42' ' ' TRP . . . -78.86 5.12 58.99 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.465 1.103 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.61 -11.88 13.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -67.56 -99.31 0.03 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.1 p 38.95 79.19 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.756 . . . . 0.0 110.424 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 60.2 m . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 110.019 -179.941 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 p -91.28 110.9 22.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.584 0.814 . . . . 0.0 109.948 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 172.91 134.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.04 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.6 ptt-85 -84.04 48.41 1.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.0 t 178.51 74.76 0.13 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 108.29 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 174.62 12.45 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.493 1.786 . . . . 0.0 111.038 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 141.93 27.19 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.505 1.792 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.496 ' HA2' ' CG ' ' A' ' 16' ' ' PRO . . . 178.89 81.26 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.468 1.105 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -123.89 28.87 6.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 110.286 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.655 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -64.6 -154.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.63 17.28 17.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.655 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 13.4 t 75.38 53.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 108.295 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.8 p -140.75 9.97 2.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.645 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 7.9 pt-20 176.14 113.26 0.12 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.505 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.95 110.65 3.16 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.512 1.796 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.496 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.0 Cg_endo -75.07 -52.48 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.496 1.788 . . . . 0.0 110.959 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . -138.43 59.55 0.6 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.527 1.142 . . . . 0.0 110.957 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.46 ' HA ' ' CG ' ' A' ' 25' ' ' GLN . . . -38.69 118.47 0.75 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.463 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER 179.49 86.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.597 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.448 ' C ' ' N ' ' A' ' 22' ' ' CYS . . . -40.13 -25.49 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 19' ' ' HIS . 2.8 tp10 -39.71 -28.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.761 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.448 ' N ' ' C ' ' A' ' 20' ' ' GLY . 13.4 t -137.75 -68.68 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 108.283 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.461 ' CE1' ' O ' ' A' ' 8' ' ' GLY . 14.1 m-85 -95.1 137.99 22.09 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.173 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 5.12 4.17 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.512 1.796 . . . . 0.0 110.971 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.51 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -55.66 -14.07 2.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.66 -33.46 47.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -54.64 -36.71 64.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 107.951 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.51 ' CD1' ' HA ' ' A' ' 25' ' ' GLN . 5.3 mp -66.39 151.31 47.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.423 ' HA ' ' HB3' ' A' ' 41' ' ' GLU . 0.8 OUTLIER 48.76 79.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 108.283 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.468 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 3.6 p-10 -142.7 -63.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 177.57 -34.41 0.08 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.455 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -119.52 125.89 27.26 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.473 0.749 . . . . 0.0 109.624 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.416 ' HB2' ' CA ' ' A' ' 38' ' ' GLY . 18.2 Cg_endo -75.03 131.49 14.32 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.518 1.799 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -149.8 39.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.6 OUTLIER -108.22 -166.37 1.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 108.312 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 35' ' ' CYS . 0.2 OUTLIER -37.53 -53.74 1.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -119.42 -61.3 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.416 ' CA ' ' HB2' ' A' ' 33' ' ' PRO . . . 150.57 44.33 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 111.035 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -112.42 -5.22 14.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 0.0 110.333 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.508 ' CB ' HD21 ' A' ' 28' ' ' LEU . 45.4 p-10 -46.36 -27.97 1.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.455 ' OE2' ' C ' ' A' ' 32' ' ' HIS . 3.9 pt-20 -129.15 37.82 4.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -54.99 -93.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 108.031 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.73 52.15 3.15 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.518 1.136 . . . . 0.0 111.047 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -116.69 -4.48 11.66 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -72.42 115.92 5.57 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 0.0 110.966 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.2 t -138.08 57.84 1.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 0.76 . . . . 0.0 110.423 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.35 165.19 2.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.783 . . . . 0.0 110.02 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.47 -59.75 2.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.02 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.407 ' O ' ' CG ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -148.12 51.79 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 110.29 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.1 t 179.64 72.8 0.16 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 108.308 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.419 ' HG2' ' O ' ' A' ' 17' ' ' GLY . 18.3 Cg_endo -74.95 174.59 12.51 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.467 1.772 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.4 35.22 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.505 1.792 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.499 ' HA2' ' CG ' ' A' ' 16' ' ' PRO . . . 178.59 81.05 0.06 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.8 pm0 -125.95 29.58 5.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.678 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -65.05 -155.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.997 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.45 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -114.9 21.67 14.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 110.296 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.678 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 43.5 t 70.15 57.78 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 108.334 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.8 p -147.03 10.69 1.02 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.614 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 7.9 pt-20 175.2 111.34 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.455 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . 18.1 Cg_endo -75.06 113.14 3.72 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.784 . . . . 0.0 110.959 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.499 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.5 Cg_endo -74.97 -57.42 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 0.0 111.042 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.419 ' O ' ' HG2' ' A' ' 6' ' ' PRO . . . -134.2 59.45 0.67 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.539 1.149 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -42.76 120.26 1.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER 179.33 90.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.591 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 22' ' ' CYS . . . -40.45 -25.34 0.09 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 19' ' ' HIS . 1.2 tt0 -39.49 -29.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 0.787 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 20' ' ' GLY . 13.5 t -136.36 -72.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.289 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.431 ' C ' ' H ' ' A' ' 25' ' ' GLN . 75.5 m-85 -93.19 147.27 33.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 13.09 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.428 1.751 . . . . 0.0 110.986 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.666 ' NE2' ' CE1' ' A' ' 10' ' ' PHE . 12.7 mm-40 -51.76 -18.43 1.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.283 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' A' ' 26' ' ' ASP . 1.1 t0 -51.42 -43.9 62.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 37.9 m95 -44.83 -36.96 3.52 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.577 ' CD1' ' HA ' ' A' ' 25' ' ' GLN . 3.6 mp -76.99 157.54 31.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.433 ' HA ' ' HB3' ' A' ' 41' ' ' GLU . 0.5 OUTLIER 46.66 75.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 108.289 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.487 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 1.3 p-10 -137.06 -60.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.419 ' C ' ' OE2' ' A' ' 41' ' ' GLU . . . 179.38 -37.55 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 110.971 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.432 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 1.1 m80 -121.77 131.76 24.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 109.575 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 147.95 34.7 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.5 1.789 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.67 45.44 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.441 ' SG ' ' O ' ' A' ' 12' ' ' CYS . 1.1 m -119.84 -169.45 1.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 108.288 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 35' ' ' CYS . 21.5 t70 -37.82 -58.2 0.94 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.19 -58.58 2.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 146.48 43.87 0.04 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.456 1.098 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.1 ptt180 -103.45 -9.25 19.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.752 . . . . 0.0 110.3 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.543 ' HB2' ' CD2' ' A' ' 28' ' ' LEU . 21.8 p-10 -45.9 -27.36 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.433 ' HB3' ' HA ' ' A' ' 29' ' ' CYS . 5.3 pt-20 -138.51 37.27 2.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 63.7 t-105 -51.37 -87.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 107.997 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.24 51.23 3.23 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.524 1.14 . . . . 0.0 111.065 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -117.57 -36.29 3.74 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.08 127.31 15.89 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.4 p -80.38 169.57 17.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.747 . . . . 0.0 110.41 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.7 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.988 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.7 m -98.97 -53.74 3.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 0.752 . . . . 0.0 109.965 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.73 -71.68 0.52 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.98 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -176.44 67.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.402 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 27.0 t 178.49 76.58 0.14 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 108.258 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.66 15.93 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 140.63 25.58 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.475 1.776 . . . . 0.0 110.975 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.616 ' O ' ' CE2' ' A' ' 23' ' ' TYR . . . 179.36 81.06 0.06 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -128.27 27.84 5.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 0.795 . . . . 0.0 110.258 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.677 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -64.36 -158.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.75 18.91 17.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.677 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 6.7 t 74.52 52.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 108.234 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.434 ' O ' ' NE ' ' A' ' 39' ' ' ARG . 20.0 p -137.83 8.59 2.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.618 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.1 pt-20 176.3 113.68 0.12 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.551 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.0 111.94 3.44 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.504 1.791 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.483 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.3 Cg_endo -74.98 -61.37 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -139.92 94.87 0.2 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.497 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -64.87 122.88 18.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 0.722 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.425 ' C ' ' N ' ' A' ' 21' ' ' GLU . 0.5 OUTLIER 179.25 85.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.613 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.43 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -44.47 -22.83 0.43 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.132 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.425 ' N ' ' C ' ' A' ' 19' ' ' HIS . 2.8 tp10 -40.75 -30.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 110.305 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.402 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 37.2 t -128.41 -81.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 108.297 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.616 ' CE2' ' O ' ' A' ' 8' ' ' GLY . 0.3 OUTLIER -90.38 154.2 46.49 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.452 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 18.4 Cg_endo -74.92 32.47 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.472 1.775 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.497 ' CB ' ' HA ' ' A' ' 18' ' ' ALA . 17.1 mt-30 -59.84 -20.62 58.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.85 -38.98 73.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 50.7 m95 -48.01 -30.86 4.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 108.031 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.551 ' CB ' ' HB3' ' A' ' 15' ' ' PRO . 4.6 mp -77.14 156.65 31.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.416 ' HA ' ' HB3' ' A' ' 41' ' ' GLU . 44.2 t 42.45 78.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 108.245 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.482 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 1.0 OUTLIER -137.39 -65.19 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 177.38 -33.68 0.08 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.413 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 1.6 t-80 -123.5 126.76 25.74 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.523 0.778 . . . . 0.0 109.596 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.471 ' N ' ' OE2' ' A' ' 41' ' ' GLU . 18.4 Cg_endo -74.98 132.88 15.96 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.536 1.809 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.6 29.82 4.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' A' ' 12' ' ' CYS . 18.0 m -102.6 -174.43 2.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 108.289 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' CYS . 28.3 t70 -39.68 -56.45 1.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -118.43 -47.67 2.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.604 ' O ' ' CZ3' ' A' ' 42' ' ' TRP . . . 134.43 76.54 0.09 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.434 ' NE ' ' O ' ' A' ' 13' ' ' SER . 5.1 ptm85 -132.54 7.06 4.13 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.529 0.782 . . . . 0.0 110.261 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.505 ' CB ' HD23 ' A' ' 28' ' ' LEU . 1.1 p-10 -76.85 -1.48 28.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.471 ' OE2' ' N ' ' A' ' 33' ' ' PRO . 4.0 pt-20 -144.68 16.96 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.296 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.604 ' CZ3' ' O ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -50.8 -79.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.68 50.24 3.22 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.464 1.103 . . . . 0.0 110.952 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 11.4 t -137.35 -47.55 0.57 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.79 102.33 0.05 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.553 1.158 . . . . 0.0 110.956 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 71.8 p -48.23 148.0 2.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 0.735 . . . . 0.0 110.425 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.6 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.062 179.975 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.69 -59.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 0.784 . . . . 0.0 109.967 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.5 t -176.09 93.77 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.057 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.14 174.86 14.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.8 t 179.97 69.93 0.16 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 108.255 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.401 ' HG2' ' O ' ' A' ' 17' ' ' GLY . 18.2 Cg_endo -75.04 174.17 13.26 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 147.18 33.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.481 1.779 . . . . 0.0 110.962 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.485 ' HA2' ' CG ' ' A' ' 16' ' ' PRO . . . 178.14 81.68 0.06 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.97 30.43 6.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.663 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -65.55 -156.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 111.009 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.445 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 2.4 ttm-85 -114.98 20.95 14.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.663 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 42.2 t 72.06 54.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 108.3 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.85 9.39 1.95 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.041 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.625 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 7.8 pt-20 175.68 112.33 0.11 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.478 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.05 111.71 3.39 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.509 1.794 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.485 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.2 Cg_endo -75.01 -56.7 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.478 1.778 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.401 ' O ' ' HG2' ' A' ' 6' ' ' PRO . . . -134.58 56.03 0.72 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.516 1.135 . . . . 0.0 111.045 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.519 ' O ' ' CG ' ' A' ' 19' ' ' HIS . . . -40.45 120.34 1.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 0.738 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.519 ' CG ' ' O ' ' A' ' 18' ' ' ALA . 2.2 m-70 179.09 89.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.601 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.437 ' C ' ' N ' ' A' ' 22' ' ' CYS . . . -38.98 -26.59 0.05 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 19' ' ' HIS . 2.1 tp10 -39.74 -28.98 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 0.759 . . . . 0.0 110.266 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.437 ' N ' ' C ' ' A' ' 20' ' ' GLY . 6.4 t -140.37 -62.05 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 108.328 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -101.64 142.85 25.43 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.439 ' C ' ' N ' ' A' ' 26' ' ' ASP . 18.3 Cg_endo -74.99 9.77 1.92 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.536 1.809 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.508 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 1.1 mt-30 -46.91 -20.61 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.439 ' N ' ' C ' ' A' ' 24' ' ' PRO . 0.2 OUTLIER -47.93 -44.86 30.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -44.78 -39.36 5.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 107.986 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.51 ' CD2' ' HB2' ' A' ' 40' ' ' ASP . 3.9 mp -77.17 159.11 29.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.469 ' HA ' ' HB3' ' A' ' 41' ' ' GLU . 0.5 OUTLIER 41.81 76.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 108.312 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.507 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.3 OUTLIER -137.48 -50.83 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.507 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 179.13 -47.18 0.09 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.105 . . . . 0.0 111.044 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.435 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -122.39 137.29 27.46 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.747 . . . . 0.0 109.628 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 149.15 36.37 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.463 1.77 . . . . 0.0 111.062 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -164.93 54.56 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.8 OUTLIER -122.47 -166.49 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 108.305 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.461 ' C ' ' O ' ' A' ' 35' ' ' CYS . 1.1 t70 -36.16 -54.81 0.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.78 -63.87 1.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.524 ' O ' ' CE3' ' A' ' 42' ' ' TRP . . . 153.54 43.41 0.02 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -111.05 -3.42 15.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.51 ' HB2' ' CD2' ' A' ' 28' ' ' LEU . 24.7 p-10 -47.2 -26.91 1.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.469 ' HB3' ' HA ' ' A' ' 29' ' ' CYS . 5.3 pt-20 -140.74 42.64 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.524 ' CE3' ' O ' ' A' ' 38' ' ' GLY . 0.4 OUTLIER -55.88 -76.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 107.969 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.41 45.65 2.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.01 -29.16 7.1 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.0 110.98 0.74 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.9 t -141.25 -53.22 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 0.0 110.42 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.7 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.932 -179.941 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.52 176.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 0.802 . . . . 0.0 109.997 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -79.67 -56.33 4.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.027 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.474 ' CB ' ' HG2' ' A' ' 21' ' ' GLU . 3.6 ptt180 176.77 43.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.1 t -179.71 74.24 0.18 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 108.294 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 172.9 15.47 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.526 1.803 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 110.17 3.07 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.53 1.805 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.457 ' CA ' ' CG ' ' A' ' 16' ' ' PRO . . . 179.84 80.34 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.443 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -130.13 147.11 51.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 0.803 . . . . 0.0 110.304 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.658 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -165.75 -157.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.534 ' O ' ' CB ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -116.0 10.7 15.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.268 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.658 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 2.7 t 90.1 55.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 108.329 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.2 p -140.42 6.87 2.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.001 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.654 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 8.2 pt-20 173.79 116.86 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.629 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.02 112.91 3.67 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.562 1.822 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.457 ' CG ' ' CA ' ' A' ' 8' ' ' GLY . 18.4 Cg_endo -74.99 -63.86 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.428 1.751 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -151.28 105.89 0.3 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.473 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -54.22 124.5 15.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 177.92 84.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.592 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -53.28 -16.68 4.94 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.134 . . . . 0.0 111.053 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.474 ' HG2' ' CB ' ' A' ' 4' ' ' ARG . 1.5 tp10 -40.89 -37.28 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 0.0 110.271 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.0 t -127.83 -76.45 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 108.313 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.477 ' CB ' ' OE1' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -88.48 151.41 48.25 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.429 ' HB2' ' CD1' ' A' ' 27' ' ' TRP . 18.4 Cg_endo -74.92 37.7 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.564 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 4.6 mt-30 -59.64 -23.28 62.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -64.12 -24.47 67.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.429 ' CD1' ' HB2' ' A' ' 24' ' ' PRO . 23.3 m95 -61.24 -32.62 72.42 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.629 ' CB ' ' HB3' ' A' ' 15' ' ' PRO . 2.7 mp -72.7 154.78 40.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.463 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 0.8 OUTLIER 39.95 81.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 108.321 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.425 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 3.1 p-10 -137.51 -57.41 0.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 179.47 -40.81 0.08 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.418 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 1.2 m170 -126.41 134.48 26.05 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.443 0.731 . . . . 0.0 109.546 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.423 ' HB2' ' CA ' ' A' ' 38' ' ' GLY . 18.3 Cg_endo -74.99 137.06 21.25 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.453 1.765 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.38 33.21 3.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.415 ' SG ' ' O ' ' A' ' 12' ' ' CYS . 24.0 m -107.79 -176.01 2.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 108.303 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -39.93 -55.94 1.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.4 -51.56 2.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.423 ' CA ' ' HB2' ' A' ' 33' ' ' PRO . . . 136.69 68.91 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.549 1.155 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -118.14 -7.95 10.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 110.262 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.488 ' CB ' HD23 ' A' ' 28' ' ' LEU . 2.6 p-10 -61.92 -13.62 26.76 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.463 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 7.3 pt-20 -151.64 34.72 0.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -50.39 -83.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 108.032 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.9 52.0 3.2 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -120.78 -39.61 2.72 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.87 -86.82 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.475 1.109 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 27.9 p 42.75 72.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 0.747 . . . . 0.0 110.367 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.986 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 m 63.48 156.62 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 0.752 . . . . 0.0 109.986 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.7 87.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.059 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.89 144.85 21.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.9 t 179.33 74.84 0.16 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 108.301 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.416 ' HG2' ' O ' ' A' ' 17' ' ' GLY . 18.5 Cg_endo -74.96 175.14 11.62 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.509 1.794 . . . . 0.0 111.062 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 135.75 19.49 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.498 1.788 . . . . 0.0 110.943 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.589 ' O ' ' CE2' ' A' ' 23' ' ' TYR . . . 179.22 80.76 0.06 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.48 1.113 . . . . 0.0 110.966 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -125.11 34.32 4.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 110.297 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.661 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -67.27 -154.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 111.015 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.446 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -115.56 20.13 14.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.661 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 42.9 t 72.59 54.66 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 108.333 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.5 p -141.71 9.35 1.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.986 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.653 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 10.5 pt-20 175.79 113.11 0.11 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.464 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.05 111.63 3.37 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.487 ' HG2' ' CA ' ' A' ' 8' ' ' GLY . 18.1 Cg_endo -75.03 -59.49 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 0.0 110.954 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.416 ' O ' ' HG2' ' A' ' 6' ' ' PRO . . . -137.83 64.44 0.56 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.456 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -41.69 126.93 3.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.756 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.461 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER 179.34 87.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.626 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -41.1 -24.62 0.1 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 110.961 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -39.78 -32.52 0.15 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 0.774 . . . . 0.0 110.286 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.9 t -132.77 -74.34 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 108.324 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.589 ' CE2' ' O ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -90.11 149.15 40.96 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.426 ' C ' ' N ' ' A' ' 26' ' ' ASP . 18.2 Cg_endo -75.02 11.74 1.38 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.504 1.792 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.555 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 7.7 mt-30 -44.12 -23.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.428 ' O ' ' O ' ' A' ' 28' ' ' LEU . 0.4 OUTLIER -49.91 -45.15 50.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.3 m0 -43.83 -37.23 2.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 108.05 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.555 ' CD1' ' HA ' ' A' ' 25' ' ' GLN . 3.7 mp -77.41 156.07 31.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.477 ' HA ' ' HB3' ' A' ' 41' ' ' GLU . 0.5 OUTLIER 44.65 77.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 108.295 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.492 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.7 OUTLIER -136.37 -51.55 0.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.492 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 179.1 -46.66 0.09 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.438 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -118.85 132.45 23.9 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 0.788 . . . . 0.0 109.585 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 135.3 18.84 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.515 1.797 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -157.02 70.37 0.62 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.442 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -133.34 -164.4 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 108.336 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 35' ' ' CYS . 27.9 t0 -37.31 -46.57 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.09 -63.39 1.01 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 155.16 42.87 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.409 ' C ' ' N ' ' A' ' 41' ' ' GLU . 13.1 ptm180 -111.64 -7.04 14.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.757 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.509 ' HB2' ' CD2' ' A' ' 28' ' ' LEU . 24.1 p-10 -45.92 -27.09 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.244 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.477 ' HB3' ' HA ' ' A' ' 29' ' ' CYS . 6.0 pt-20 -143.55 44.5 1.51 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 110.309 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -53.65 -81.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 108.045 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.07 48.77 3.39 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.405 ' CB ' ' HB2' ' A' ' 41' ' ' GLU . 0.5 OUTLIER -112.76 -27.96 7.95 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.7 152.22 3.71 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.144 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.8 p -114.78 150.37 35.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 0.728 . . . . 0.0 110.408 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.01 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.59 15.04 1.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 0.799 . . . . 0.0 109.999 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m 64.33 88.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.012 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.453 ' N ' ' OE2' ' A' ' 21' ' ' GLU . 1.6 mmt-85 -135.71 -177.4 4.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 37.3 t 178.83 74.19 0.14 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 108.295 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.56 ' HG3' ' CD2' ' A' ' 19' ' ' HIS . 18.3 Cg_endo -75.02 156.36 42.9 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.447 1.762 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 118.57 5.32 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.461 1.769 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.414 ' HA3' ' OE1' ' A' ' 25' ' ' GLN . . . 178.01 83.18 0.06 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.465 1.103 . . . . 0.0 110.963 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.566 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 4.7 pm0 -121.94 152.21 39.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 110.295 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.684 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -166.03 -158.16 0.33 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.464 ' O ' ' CB ' ' A' ' 12' ' ' CYS . 3.1 ttt180 -113.96 12.17 17.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.684 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 5.2 t 85.58 56.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 108.246 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.4 p -142.61 7.82 1.71 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.655 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 12.8 pt-20 174.15 116.99 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.6 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.05 112.99 3.69 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.497 1.788 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.401 ' HG2' ' C ' ' A' ' 8' ' ' GLY . 18.2 Cg_endo -75.0 -70.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -141.85 101.16 0.27 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.63 126.15 9.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 0.734 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.56 ' CD2' ' HG3' ' A' ' 6' ' ' PRO . 0.9 OUTLIER 178.06 85.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.575 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -68.25 -1.57 21.46 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.453 ' OE2' ' N ' ' A' ' 4' ' ' ARG . 0.5 OUTLIER -70.46 -11.04 60.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 110.335 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.0 t -141.7 -78.9 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.133 . . . . 0.0 108.298 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.566 ' CE1' ' HB3' ' A' ' 9' ' ' GLN . 23.9 m-85 -88.19 167.0 20.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.403 ' O ' ' N ' ' A' ' 27' ' ' TRP . 18.4 Cg_endo -74.98 12.64 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.504 1.792 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.577 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 12.7 mt-30 -45.14 -37.42 4.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -53.07 -42.37 65.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 109.322 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.403 ' N ' ' O ' ' A' ' 24' ' ' PRO . 41.7 m95 -42.16 -44.57 3.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.164 . . . . 0.0 108.002 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.6 ' CB ' ' HB3' ' A' ' 15' ' ' PRO . 2.2 mp -64.6 152.8 41.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 28' ' ' LEU . 53.5 t 40.71 81.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 108.301 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.457 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.4 OUTLIER -136.57 -48.07 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.457 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 179.55 -49.7 0.09 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.506 1.128 . . . . 0.0 111.042 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.402 ' O ' ' CD ' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -127.01 153.44 76.48 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 0.762 . . . . 0.0 109.617 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 161.79 38.29 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.473 1.775 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -167.33 32.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 36' ' ' ASP . 5.3 m -113.98 -172.51 2.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 108.272 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 35' ' ' CYS . 0.5 OUTLIER -39.02 -57.93 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.01 -50.45 2.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.17 55.4 0.1 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.556 1.16 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -109.03 -15.07 14.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 0.0 110.328 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.49 ' CB ' ' CD2' ' A' ' 28' ' ' LEU . 4.9 p-10 -52.63 -21.4 3.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.275 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.936 ' OE2' 'CA ' ' A' ' 48' ' ' ' CA' . 0.8 OUTLIER -134.89 31.01 3.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 58.3 t-105 -51.6 -88.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 108.019 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.33 55.6 2.82 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 49.1 t -150.02 -47.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -53.02 118.24 7.87 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.2 p -68.39 -29.34 68.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 0.729 . . . . 0.0 110.403 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.5 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.013 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ' CA' . . . . . 0.936 'CA ' ' OE2' ' A' ' 41' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -106.11 -41.83 5.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 0.722 . . . . 0.0 109.975 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -133.3 -93.7 0.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.162 . . . . 0.0 109.978 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.464 ' HB3' ' CG ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -150.59 55.36 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.343 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.417 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 40.7 t 178.46 77.85 0.15 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 108.28 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 174.89 12.02 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.481 1.78 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 124.72 8.85 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.434 1.755 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.593 ' O ' ' CD2' ' A' ' 23' ' ' TYR . . . -177.09 79.5 0.07 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.543 ' HG3' ' CE1' ' A' ' 23' ' ' TYR . 1.4 tt0 -127.66 33.46 4.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 0.76 . . . . 0.0 110.249 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.675 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -66.17 -158.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.51 17.49 19.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.102 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.675 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 2.8 t 76.71 52.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 108.275 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.5 p -138.64 9.0 2.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.951 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.622 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.2 pt-20 176.2 113.41 0.12 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.309 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.579 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -75.0 111.16 3.26 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.492 1.785 . . . . 0.0 111.048 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.474 ' HD3' ' O ' ' A' ' 14' ' ' GLU . 18.2 Cg_endo -75.02 -62.34 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.535 1.808 . . . . 0.0 110.985 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -141.91 96.21 0.2 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.494 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -57.58 125.75 24.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 0.772 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 178.43 85.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.627 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.445 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -50.08 -18.99 2.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.464 ' CG ' ' HB3' ' A' ' 4' ' ' ARG . 2.4 tp10 -41.11 -37.46 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 110.312 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 38.1 t -123.02 -79.99 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 108.274 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CD2' ' O ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -89.31 155.42 49.0 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.571 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 18.2 Cg_endo -75.04 34.06 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.783 . . . . 0.0 110.98 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.501 ' OE1' ' CB ' ' A' ' 23' ' ' TYR . 8.2 mt-30 -58.5 -21.51 52.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.39 -41.2 93.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -45.27 -31.09 1.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 108.02 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.579 ' CB ' ' HB3' ' A' ' 15' ' ' PRO . 4.6 mp -77.51 151.69 34.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.493 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 47.4 t 43.32 73.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 108.33 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.53 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.3 OUTLIER -132.33 -53.04 0.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.53 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 177.17 -45.09 0.1 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.442 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 13.5 t60 -119.84 127.84 26.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 109.649 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.465 ' HB2' ' CA ' ' A' ' 38' ' ' GLY . 18.3 Cg_endo -74.99 114.46 4.03 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.463 1.77 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.461 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -127.27 54.31 1.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.7 OUTLIER -114.73 -167.8 1.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 108.301 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 35' ' ' CYS . 22.1 t70 -40.01 -51.39 2.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -124.36 -48.45 1.83 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.465 ' CA ' ' HB2' ' A' ' 33' ' ' PRO . . . 136.97 69.62 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.546 1.154 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -137.65 10.92 2.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.505 ' HB2' ' CG ' ' A' ' 28' ' ' LEU . 2.0 p-10 -75.72 -2.32 29.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.493 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 7.8 pt-20 -154.67 26.14 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -50.28 -80.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 108.001 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.99 46.64 2.98 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 36.7 t -123.02 -42.37 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.04 -65.33 2.53 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 61.6 p 40.54 74.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.773 . . . . 0.0 110.397 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.973 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -42.87 164.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.786 . . . . 0.0 110.04 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -48.93 -26.72 2.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.977 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -116.38 68.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.413 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 26.0 t 178.41 75.96 0.14 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 108.361 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 171.62 17.96 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.471 1.774 . . . . 0.0 110.974 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 141.66 26.72 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.618 ' O ' ' CE2' ' A' ' 23' ' ' TYR . . . 178.68 82.11 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.69 31.05 5.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.669 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -65.85 -158.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 111.023 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.66 18.62 17.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.669 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 4.9 t 75.97 52.56 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 108.314 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.4 p -137.81 8.44 2.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.996 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.618 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.7 pt-20 175.92 113.79 0.12 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 110.339 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.58 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.95 110.98 3.22 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.463 1.77 . . . . 0.0 110.977 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.484 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.4 Cg_endo -74.97 -60.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.524 1.802 . . . . 0.0 111.027 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -139.14 94.44 0.2 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.117 . . . . 0.0 110.944 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.501 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -68.66 122.17 17.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 0.732 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 178.81 86.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.603 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.476 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -41.83 -23.96 0.15 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.461 1.101 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 19' ' ' HIS . 4.0 tp10 -40.75 -29.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 0.786 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.418 ' N ' ' C ' ' A' ' 20' ' ' GLY . 44.5 t -130.02 -82.3 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 108.303 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.618 ' CE2' ' O ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -88.71 159.15 46.91 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 111.008 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.562 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -74.99 13.39 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.461 1.769 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.501 ' CB ' ' HA ' ' A' ' 18' ' ' ALA . 15.6 mt-30 -41.75 -26.96 0.09 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 110.261 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -47.26 -47.4 24.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.427 ' C ' ' O ' ' A' ' 26' ' ' ASP . 16.4 m0 -40.49 -44.56 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 107.968 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.58 ' CB ' ' HB3' ' A' ' 15' ' ' PRO . 4.3 mp -63.41 146.91 52.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.474 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 52.5 t 43.86 75.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 108.303 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.531 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -134.56 -52.33 0.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.531 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 178.21 -46.15 0.09 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.532 1.145 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.437 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -124.44 138.14 30.51 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 0.744 . . . . 0.0 109.587 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.43 ' N ' ' OE2' ' A' ' 41' ' ' GLU . 18.2 Cg_endo -75.04 145.03 30.82 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.781 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.74 26.76 1.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.42 ' SG ' ' O ' ' A' ' 12' ' ' CYS . 9.6 m -98.23 -173.26 2.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 108.274 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -39.55 -51.96 2.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.9 -51.9 2.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.415 ' CA ' ' HB2' ' A' ' 33' ' ' PRO . . . 138.88 74.22 0.05 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -132.1 7.38 4.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.581 0.813 . . . . 0.0 110.286 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.529 ' CB ' ' CD2' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -76.07 -1.98 28.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.474 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 8.3 pt-20 -151.7 25.05 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.497 ' CG ' ' N ' ' A' ' 43' ' ' GLY . 3.4 t90 -50.33 -83.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.497 ' N ' ' CG ' ' A' ' 42' ' ' TRP . . . -78.08 48.5 3.05 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 18.8 t -122.59 -42.48 2.32 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.03 101.27 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.0 t -115.21 142.06 47.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 0.745 . . . . 0.0 110.41 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.8 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.32 13.42 5.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 0.75 . . . . 0.0 110.011 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.75 -59.81 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.969 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.5 ' HG2' ' CE1' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -104.05 107.06 17.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 110.296 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.6 t 178.79 76.6 0.15 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 108.259 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.478 ' CG ' ' HB2' ' A' ' 19' ' ' HIS . 18.2 Cg_endo -75.02 174.94 11.93 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.518 1.799 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.436 ' O ' ' HG2' ' A' ' 16' ' ' PRO . 18.3 Cg_endo -75.01 151.64 39.73 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.782 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 176.59 79.52 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.483 1.115 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -132.24 21.03 4.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 0.796 . . . . 0.0 110.334 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.68 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -67.44 -156.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.416 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -115.32 19.31 15.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.68 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 34.9 t 73.52 55.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 108.297 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.7 p -144.57 9.23 1.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.007 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.533 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 7.7 pt-20 174.39 108.94 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.475 ' HG3' ' HB3' ' A' ' 28' ' ' LEU . 18.5 Cg_endo -74.98 111.69 3.39 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.44 ' HD3' ' O ' ' A' ' 14' ' ' GLU . 18.4 Cg_endo -74.96 -42.87 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.535 1.808 . . . . 0.0 111.051 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -158.27 99.0 0.18 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.122 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.496 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -71.69 129.43 38.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 0.746 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.5 ' CE1' ' HG2' ' A' ' 4' ' ' ARG . 0.1 OUTLIER 179.16 86.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.613 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -48.7 -20.65 1.82 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -48.41 -23.32 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 0.79 . . . . 0.0 110.289 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 10.2 t -137.17 -76.46 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 108.299 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.443 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 15.4 m-85 -92.76 157.11 40.2 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.42 ' C ' ' N ' ' A' ' 26' ' ' ASP . 18.2 Cg_endo -75.04 7.6 2.81 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.496 1.787 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.532 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 22.4 mm-40 -45.76 -23.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.446 ' O ' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -55.69 -46.02 77.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.261 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' ASP . 21.5 m95 -41.07 -37.42 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 108.008 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.59 ' CD2' ' HB2' ' A' ' 40' ' ' ASP . 2.5 mp -77.97 149.97 34.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.451 ' HA ' ' HB3' ' A' ' 41' ' ' GLU . 0.5 OUTLIER 52.32 71.32 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 108.315 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.531 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.3 OUTLIER -134.15 -52.16 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.531 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 178.71 -45.89 0.09 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.514 1.134 . . . . 0.0 111.044 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.447 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -119.73 135.08 23.97 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.513 0.772 . . . . 0.0 109.584 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 151.23 39.12 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.523 1.801 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -159.12 47.71 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.425 ' SG ' ' O ' ' A' ' 12' ' ' CYS . 0.8 OUTLIER -120.13 -169.15 1.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 108.284 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 35' ' ' CYS . 2.0 t70 -38.86 -56.83 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -114.72 -60.64 1.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 148.35 43.67 0.03 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -102.43 -10.96 18.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.59 ' HB2' ' CD2' ' A' ' 28' ' ' LEU . 19.9 p-10 -45.79 -27.36 0.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.451 ' HB3' ' HA ' ' A' ' 29' ' ' CYS . 7.1 pt-20 -140.33 38.26 1.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 61.6 t-105 -50.89 -84.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 107.957 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.78 48.32 3.23 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -115.89 -6.19 12.04 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.54 96.14 0.14 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.3 t -126.44 142.18 51.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 0.777 . . . . 0.0 110.4 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.52 -73.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 109.988 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.1 m -71.79 75.86 0.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.982 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -93.75 154.45 17.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 44.4 t 179.2 76.25 0.16 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 108.328 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 174.27 13.08 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.492 1.785 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 127.01 10.37 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.505 1.792 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.495 ' CA ' ' HG2' ' A' ' 16' ' ' PRO . . . 178.3 81.67 0.06 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.447 1.092 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -126.07 35.9 4.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.757 . . . . 0.0 110.331 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.673 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -68.71 -158.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.447 1.092 . . . . 0.0 110.973 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.2 17.31 18.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.673 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 5.7 t 77.45 53.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 108.269 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.7 p -139.16 8.64 2.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.002 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.592 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 13.1 pt-20 175.3 112.32 0.1 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.559 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.0 110.98 3.22 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 111.0 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.495 ' HG2' ' CA ' ' A' ' 8' ' ' GLY . 18.4 Cg_endo -75.03 -62.92 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.462 1.769 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.72 89.37 0.17 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.01 134.34 13.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.787 . . . . 0.0 109.329 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 179.06 87.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.63 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.467 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -58.52 -11.76 11.17 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.528 1.142 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -55.89 -30.92 62.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 0.771 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.7 t -125.52 -77.4 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.122 . . . . 0.0 108.32 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.467 ' CD2' ' O ' ' A' ' 8' ' ' GLY . 7.4 m-85 -89.03 158.31 47.19 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 14.0 0.93 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.506 1.793 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.449 ' CD ' ' HA3' ' A' ' 8' ' ' GLY . 1.7 mt-30 -46.64 -25.57 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.333 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -52.81 -42.7 65.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 44.7 m95 -45.87 -34.21 3.69 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.559 ' CB ' ' HB3' ' A' ' 15' ' ' PRO . 4.7 mp -77.18 156.84 31.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.432 ' HA ' ' HB3' ' A' ' 41' ' ' GLU . 0.1 OUTLIER 45.72 72.25 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 108.35 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.482 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.4 OUTLIER -131.93 -49.3 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.482 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 179.14 -49.24 0.09 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -126.89 144.76 51.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 109.614 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 154.89 42.59 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.453 1.765 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -168.96 33.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -94.13 -164.87 1.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 108.293 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' CYS . 0.3 OUTLIER -39.59 -51.4 2.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -116.44 -61.9 1.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 150.77 60.6 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -134.96 18.75 3.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 110.276 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.52 ' CB ' ' CD2' ' A' ' 28' ' ' LEU . 5.6 p-10 -80.53 2.24 26.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.443 ' OE2' ' OD2' ' A' ' 40' ' ' ASP . 0.1 OUTLIER -163.73 38.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 41.3 t-105 -51.53 -90.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 108.027 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.07 46.56 2.98 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.445 1.09 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 46' ' ' THR . 13.8 t -115.6 -34.58 4.82 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.0 92.36 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.101 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 44' ' ' CYS . 13.7 t -108.82 131.93 54.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 0.0 110.345 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.02 162.06 15.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 109.974 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.06 64.28 8.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.994 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? 39.59 48.76 1.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 23.1 t 179.31 74.14 0.15 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 108.293 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.419 ' HG2' ' O ' ' A' ' 17' ' ' GLY . 18.2 Cg_endo -75.01 174.82 12.13 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 141.39 26.65 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.515 1.797 . . . . 0.0 110.998 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.494 ' HA2' ' CG ' ' A' ' 16' ' ' PRO . . . 178.91 81.05 0.06 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.138 . . . . 0.0 111.022 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -123.29 27.34 7.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 0.783 . . . . 0.0 110.263 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.653 ' CD2' ' O ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -62.98 -154.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.963 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.94 18.71 16.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.634 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 19.3 t 73.88 53.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 108.312 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.9 t -140.4 9.72 2.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.992 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.653 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.5 pt-20 176.33 113.53 0.12 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.269 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.496 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.06 110.48 3.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.494 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.3 Cg_endo -74.97 -52.3 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.457 1.767 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.448 ' O ' ' NE2' ' A' ' 25' ' ' GLN . . . -138.59 59.51 0.6 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.12 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.46 ' HA ' ' CG ' ' A' ' 25' ' ' GLN . . . -38.52 118.73 0.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 0.765 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.472 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER 179.48 86.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.636 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 22' ' ' CYS . . . -40.26 -25.34 0.08 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 19' ' ' HIS . 3.0 tp10 -39.48 -28.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 0.733 . . . . 0.0 110.331 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' GLY . 11.4 t -138.35 -71.48 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 108.326 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.417 ' HB2' ' NE2' ' A' ' 25' ' ' GLN . 9.7 m-85 -90.66 137.71 26.97 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 111.049 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.599 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 18.4 Cg_endo -74.95 3.5 5.54 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.447 1.762 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.487 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -53.23 -15.99 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 24' ' ' PRO . 0.8 OUTLIER -47.87 -42.17 25.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 24' ' ' PRO . 51.3 m95 -45.84 -42.72 12.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 108.0 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.537 HD22 ' CB ' ' A' ' 40' ' ' ASP . 5.2 mp -61.77 149.36 40.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.501 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 0.8 OUTLIER 43.76 74.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 108.306 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.539 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -135.7 -52.6 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.539 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 178.31 -45.41 0.09 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.425 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.8 OUTLIER -115.4 135.14 22.54 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.538 0.787 . . . . 0.0 109.639 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 127.1 10.38 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.504 1.792 . . . . 0.0 110.97 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -155.82 69.83 0.68 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -134.79 -162.75 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 108.324 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 35' ' ' CYS . 12.5 t70 -37.62 -49.11 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -126.58 -59.45 1.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 151.74 44.0 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.563 1.164 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.578 ' HB3' ' CE3' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -116.63 -3.76 11.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.774 . . . . 0.0 110.332 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.537 ' CB ' HD22 ' A' ' 28' ' ' LEU . 37.7 p-10 -46.09 -28.91 1.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.501 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 5.2 pt-20 -138.06 39.9 2.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.25 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.578 ' CE3' ' HB3' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -51.61 -83.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 107.998 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.51 45.85 2.95 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.467 1.104 . . . . 0.0 111.041 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.65 -21.88 11.48 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.32 99.04 0.03 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.452 1.095 . . . . 0.0 111.022 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.2 t -124.36 138.87 54.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.787 . . . . 0.0 110.389 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.026 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 p -150.97 109.1 3.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 0.765 . . . . 0.0 109.953 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -143.94 58.78 1.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.013 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 42.1 58.25 2.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.411 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 4.0 t 178.72 76.1 0.15 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 108.308 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.462 ' CG ' ' HB2' ' A' ' 19' ' ' HIS . 18.4 Cg_endo -75.03 174.88 12.02 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.484 1.781 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 151.68 39.98 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.457 1.767 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.494 ' HA3' ' CG ' ' A' ' 25' ' ' GLN . . . 178.57 81.29 0.06 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -141.82 22.36 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 0.788 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.745 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -67.58 -159.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.578 ' O ' ' CB ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -106.07 -2.39 22.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.261 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.745 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 4.4 t 93.87 55.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 108.29 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.03 10.44 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.45 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.2 pt-20 175.2 108.38 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.496 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.98 112.98 3.69 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.506 1.793 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.413 ' HG2' ' HA2' ' A' ' 8' ' ' GLY . 18.4 Cg_endo -75.05 -39.32 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.511 1.795 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.439 ' O ' ' CB ' ' A' ' 25' ' ' GLN . . . -164.68 114.43 0.6 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.455 1.097 . . . . 0.0 111.044 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.475 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -84.57 126.44 33.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 0.79 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.462 ' HB2' ' CG ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER 179.38 83.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.611 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -46.21 -22.47 0.93 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -49.49 -22.7 1.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 0.812 . . . . 0.0 110.324 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.411 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 16.6 t -133.5 -78.58 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 108.284 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.462 ' CD2' ' N ' ' A' ' 8' ' ' GLY . 7.3 m-85 -94.64 158.76 34.86 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.405 ' C ' ' N ' ' A' ' 26' ' ' ASP . 18.2 Cg_endo -74.98 11.01 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.533 1.807 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.583 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 79.2 mm-40 -46.86 -23.61 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' A' ' 28' ' ' LEU . 23.0 t0 -52.36 -41.31 62.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 56.2 m95 -44.27 -41.44 5.93 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.583 ' CD1' ' HA ' ' A' ' 25' ' ' GLN . 3.5 mp -68.35 157.24 36.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER 41.2 80.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 108.307 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.465 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 3.1 p-10 -139.95 -59.2 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 179.16 -39.16 0.08 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.421 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.5 OUTLIER -127.17 136.12 28.41 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.585 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 32' ' ' HIS . 18.2 Cg_endo -75.04 151.94 39.94 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.532 1.806 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -149.3 31.24 0.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 36' ' ' ASP . 6.8 m -106.13 -173.18 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 108.281 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 35' ' ' CYS . 22.7 t70 -38.54 -55.04 1.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.59 -51.86 2.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 138.67 74.77 0.06 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -129.7 7.04 5.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 110.286 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.473 ' CB ' HD23 ' A' ' 28' ' ' LEU . 1.6 p-10 -75.83 -1.41 25.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.421 ' OE2' ' C ' ' A' ' 32' ' ' HIS . 7.3 pt-20 -157.26 25.35 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -50.37 -79.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 107.982 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.45 50.13 3.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.538 1.149 . . . . 0.0 110.966 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -123.35 -42.22 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.97 101.75 0.04 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.1 t -128.29 63.92 1.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 0.754 . . . . 0.0 110.406 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.0 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.005 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -169.53 -50.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 109.969 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 t -126.49 -46.28 1.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.968 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.441 ' CG ' ' O ' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -88.5 53.05 2.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.404 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 35.6 t 178.62 75.55 0.14 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 108.317 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 174.65 12.41 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.502 1.79 . . . . 0.0 110.973 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 144.73 30.62 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.594 ' O ' ' CE2' ' A' ' 23' ' ' TYR . . . 179.2 81.09 0.06 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -125.83 29.99 5.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.695 ' CD2' ' O ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -67.28 -154.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -112.48 16.27 19.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.238 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.647 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 12.1 t 74.64 55.7 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.133 . . . . 0.0 108.331 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.9 p -142.74 11.82 1.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.01 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.695 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 12.7 pt-20 176.39 114.97 0.13 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.469 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.98 110.47 3.12 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.492 ' HD3' ' O ' ' A' ' 14' ' ' GLU . 18.2 Cg_endo -75.08 -56.51 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.554 1.818 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -131.58 61.9 0.65 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.53 1.144 . . . . 0.0 111.026 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.494 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -42.18 115.87 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.462 ' C ' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 178.8 89.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.539 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -43.89 -21.12 0.18 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.462 ' N ' ' C ' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -39.23 -38.35 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 110.326 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.404 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 32.4 t -124.28 -77.22 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 108.295 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.594 ' CE2' ' O ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -89.31 151.7 46.76 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.426 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 18.2 Cg_endo -75.04 27.54 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.455 1.766 . . . . 0.0 110.989 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.494 ' CB ' ' HA ' ' A' ' 18' ' ' ALA . 7.6 mt-30 -54.67 -23.08 15.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -52.11 -44.78 64.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.092 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -43.91 -33.78 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 108.015 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.526 HD21 ' CB ' ' A' ' 40' ' ' ASP . 4.3 mp -77.86 150.69 34.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.24 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.448 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 14.6 t 47.82 76.46 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 108.331 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.511 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 1.1 p-10 -136.79 -66.82 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 176.71 -32.66 0.08 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.432 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.6 OUTLIER -116.08 120.06 35.9 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.542 0.789 . . . . 0.0 109.642 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.436 ' N ' ' OE2' ' A' ' 41' ' ' GLU . 18.3 Cg_endo -74.99 125.3 9.24 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.514 1.797 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -145.2 31.35 1.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.6 OUTLIER -100.21 -166.63 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 108.306 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 35' ' ' CYS . 2.4 t0 -38.24 -54.74 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.354 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -119.41 -57.23 2.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 145.51 44.3 0.04 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -111.07 -7.9 14.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.526 ' CB ' HD21 ' A' ' 28' ' ' LEU . 45.1 p-10 -46.16 -29.08 1.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.452 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 3.2 pt-20 -123.19 27.76 7.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 40.7 t90 -51.08 -91.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 108.005 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.15 51.23 3.2 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 13.0 t -129.97 -45.73 1.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.93 143.92 10.66 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.125 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.3 p -102.52 109.93 21.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 0.727 . . . . 0.0 110.404 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.011 179.973 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.9 t . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.593 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 18.2 Cg_endo -74.98 173.96 13.6 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.477 1.777 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.414 ' O ' ' HG2' ' A' ' 16' ' ' PRO . 18.2 Cg_endo -74.95 154.1 42.49 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.478 1.778 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.466 ' HA3' ' CG ' ' A' ' 25' ' ' GLN . . . 177.32 78.07 0.05 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -135.19 20.32 3.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.716 ' CE2' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -65.11 -158.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.03 16.92 20.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.265 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.696 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 5.6 t 74.85 56.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 108.287 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.8 p -146.35 10.27 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.038 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.508 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.8 pt-20 174.1 109.55 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.272 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.794 ' CB ' HD22 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.04 112.0 3.46 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.477 1.777 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.436 ' HD3' ' O ' ' A' ' 14' ' ' GLU . 18.2 Cg_endo -75.02 -43.78 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.548 1.815 . . . . 0.0 110.95 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -160.05 106.56 0.29 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.499 1.125 . . . . 0.0 111.022 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.459 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -76.67 127.87 33.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.773 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.478 ' HB2' ' CG ' ' A' ' 6' ' ' PRO . 1.6 m-70 179.07 85.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.17 . . . . 0.0 109.633 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.484 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -50.22 -18.3 2.15 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 19' ' ' HIS . 3.6 tp10 -51.33 -27.97 11.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 0.78 . . . . 0.0 110.283 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.1 t -129.57 -78.19 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 108.352 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 6' ' ' PRO . 83.0 m-85 -89.36 159.58 44.15 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 111.045 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.426 ' C ' ' N ' ' A' ' 26' ' ' ASP . 18.0 Cg_endo -75.04 5.56 3.93 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.605 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 45.3 mm-40 -42.39 -25.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.426 ' N ' ' C ' ' A' ' 24' ' ' PRO . 0.3 OUTLIER -47.15 -45.02 22.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.357 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 24.0 m95 -41.73 -48.7 4.26 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.95 HD23 ' CB ' ' A' ' 40' ' ' ASP . 2.6 mp -58.18 151.36 19.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 28' ' ' LEU . 15.6 t 39.38 80.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 108.303 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.518 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -137.88 -51.67 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.246 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.518 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 178.62 -46.0 0.09 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.599 ' CD2' ' O ' ' A' ' 33' ' ' PRO . 28.7 t60 -123.66 142.48 39.27 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.486 0.757 . . . . 0.0 109.593 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.599 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 18.2 Cg_endo -75.04 144.9 30.65 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.474 1.776 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.16 38.24 1.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 36' ' ' ASP . 5.3 m -118.14 -172.53 2.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 108.317 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 35' ' ' CYS . 0.5 OUTLIER -38.99 -63.46 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.09 -49.52 3.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.37 67.1 0.08 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.557 1.161 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -119.95 -5.93 10.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 110.278 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.95 ' CB ' HD23 ' A' ' 28' ' ' LEU . 4.3 p-10 -66.08 -15.22 62.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.423 ' HG3' ' HA ' ' A' ' 33' ' ' PRO . 0.8 OUTLIER -135.43 18.19 3.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.244 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -51.42 -77.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 108.013 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.33 53.67 3.14 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 32.7 t . . . . . 0 C--N 1.324 -0.501 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.3 t . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.61 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -74.99 174.47 12.73 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.519 1.8 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.418 ' O ' ' HG2' ' A' ' 16' ' ' PRO . 18.2 Cg_endo -75.08 151.65 39.42 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.482 1.78 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.514 ' O ' ' CD2' ' A' ' 23' ' ' TYR . . . 176.37 84.39 0.06 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.459 1.1 . . . . 0.0 110.951 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.04 26.62 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 0.0 110.277 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.722 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -71.56 -158.86 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 111.008 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.59 17.18 19.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.334 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.722 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 7.2 t 75.82 56.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 108.33 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 p -145.35 9.9 1.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.03 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.51 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.8 pt-20 175.06 108.41 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.331 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.618 ' HB3' HD22 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.98 111.64 3.37 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.484 1.781 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.455 ' HD2' ' OE1' ' A' ' 25' ' ' GLN . 18.4 Cg_endo -74.92 -51.85 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.491 1.785 . . . . 0.0 111.016 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -150.05 99.09 0.19 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 111.052 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.602 ' HB1' ' HA ' ' A' ' 26' ' ' ASP . . . -72.95 126.63 30.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 0.773 . . . . 0.0 109.285 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.412 ' C ' ' N ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER 179.26 84.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.625 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -44.44 -23.96 0.57 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.444 1.09 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 19' ' ' HIS . 4.9 tp10 -42.48 -27.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.753 . . . . 0.0 110.332 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.417 ' N ' ' C ' ' A' ' 20' ' ' GLY . 5.2 t -136.75 -74.43 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 108.299 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.61 ' CD1' ' O ' ' A' ' 6' ' ' PRO . 79.2 m-85 -89.54 150.84 45.14 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.404 ' C ' ' N ' ' A' ' 26' ' ' ASP . 18.1 Cg_endo -75.02 7.62 2.79 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.455 ' OE1' ' HD2' ' A' ' 16' ' ' PRO . 47.5 mm-40 -48.06 -22.87 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.602 ' HA ' ' HB1' ' A' ' 18' ' ' ALA . 2.7 t70 -53.25 -39.04 63.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.43 ' O ' ' OD1' ' A' ' 30' ' ' ASP . 18.9 m95 -48.3 -35.27 11.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 107.989 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.811 HD23 ' CB ' ' A' ' 40' ' ' ASP . 5.0 mp -70.64 150.47 45.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.43 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 0.8 OUTLIER 49.22 78.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 108.293 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.484 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 2.4 p-10 -139.64 -62.0 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.74 -35.69 0.08 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.53 1.143 . . . . 0.0 110.97 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.423 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 1.7 m-70 -122.24 129.81 24.95 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.66 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 143.49 29.06 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.52 1.8 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -142.49 35.24 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.408 ' SG ' ' O ' ' A' ' 12' ' ' CYS . 18.0 m -112.44 -174.16 2.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 108.342 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -40.37 -50.35 2.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.16 -55.04 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 140.57 61.61 0.04 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -112.07 -6.68 14.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.767 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.811 ' CB ' HD23 ' A' ' 28' ' ' LEU . 2.5 p-10 -60.78 -14.96 24.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.43 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 5.8 pt-20 -147.79 31.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 45.5 t-105 -51.17 -86.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 108.011 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.66 50.88 3.32 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 0.0 111.0 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.401 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 32.3 t . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 174.31 13.0 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.502 1.791 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 128.06 11.19 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.449 1.763 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.558 ' O ' ' CD1' ' A' ' 23' ' ' TYR . . . 179.82 80.47 0.06 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.576 1.172 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -126.5 28.49 5.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.643 ' CD2' ' O ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -61.0 -156.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.85 17.32 18.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.636 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 1.9 t 76.25 49.88 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 108.307 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.61 8.71 3.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.974 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.643 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.8 pt-20 176.43 113.81 0.13 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.5 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.01 111.42 3.32 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.47 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.3 Cg_endo -74.97 -65.41 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.469 ' O ' ' NE2' ' A' ' 25' ' ' GLN . . . -141.92 85.25 0.2 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.444 ' HA ' ' CG ' ' A' ' 25' ' ' GLN . . . -42.13 131.5 3.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.486 ' N ' HE21 ' A' ' 25' ' ' GLN . 0.1 OUTLIER 178.85 84.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 109.588 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -57.13 -13.5 9.45 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.67 -16.57 11.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.75 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 9.0 t -142.74 -73.28 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 108.329 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.558 ' CD1' ' O ' ' A' ' 8' ' ' GLY . 21.1 m-85 -88.44 143.57 32.54 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.4 Cg_endo -74.99 6.64 3.26 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.455 1.766 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.548 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -58.24 -12.62 3.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 110.335 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -61.15 -20.32 62.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.419 ' O ' ' OD1' ' A' ' 30' ' ' ASP . 24.8 m0 -69.32 -23.48 63.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 107.978 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.653 HD23 ' CB ' ' A' ' 40' ' ' ASP . 5.7 mp -72.04 152.37 42.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.438 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 0.5 OUTLIER 47.04 78.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 108.305 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.492 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 2.2 p-10 -139.91 -62.52 0.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.78 -35.1 0.08 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.422 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 8.1 m-70 -116.79 121.26 33.1 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 109.591 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 112.63 3.6 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.472 1.775 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.22 59.88 1.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.29 -161.49 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 108.308 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.53 -45.64 3.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -132.33 -56.2 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 148.17 46.65 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.9 ptm85 -114.6 -12.12 12.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 0.772 . . . . 0.0 110.267 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.653 ' CB ' HD23 ' A' ' 28' ' ' LEU . 2.3 p-10 -46.02 -27.46 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.438 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 5.2 pt-20 -135.39 36.37 2.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 10.1 t90 -52.3 -89.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 108.008 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.33 52.2 3.38 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.6 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 173.26 14.82 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.496 1.788 . . . . 0.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 131.05 13.99 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.455 1.766 . . . . 0.0 111.043 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.592 ' O ' ' CD1' ' A' ' 23' ' ' TYR . . . 179.03 80.35 0.06 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.64 31.28 5.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.654 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -63.53 -156.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.87 18.01 17.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.654 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 7.7 t 75.38 51.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 108.255 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.1 p -137.66 8.8 2.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.628 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.3 pt-20 176.24 113.43 0.12 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.509 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.97 112.2 3.5 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.504 1.791 . . . . 0.0 110.99 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.47 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.2 Cg_endo -75.05 -66.23 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.488 1.783 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.469 ' O ' ' NE2' ' A' ' 25' ' ' GLN . . . -140.93 87.55 0.19 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.445 1.091 . . . . 0.0 111.016 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -42.41 131.18 3.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.493 ' N ' HE21 ' A' ' 25' ' ' GLN . 0.1 OUTLIER 178.68 86.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.611 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.94 -10.66 20.86 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.122 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -63.96 -11.58 29.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 0.79 . . . . 0.0 110.258 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.5 t -144.01 -74.34 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 108.295 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.592 ' CD1' ' O ' ' A' ' 8' ' ' GLY . 21.9 m-85 -89.63 144.91 32.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -74.93 8.41 2.4 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.523 1.801 . . . . 0.0 110.969 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.561 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -60.28 -10.22 4.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -60.78 -24.0 65.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.298 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.405 ' O ' ' OD1' ' A' ' 30' ' ' ASP . 49.8 m95 -65.54 -21.8 66.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 107.974 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.694 HD23 ' CB ' ' A' ' 40' ' ' ASP . 5.5 mp -75.96 151.82 37.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.258 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 49.5 75.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 108.305 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 2.1 p-10 -137.49 -62.42 0.61 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.406 ' C ' ' OE2' ' A' ' 41' ' ' GLU . . . 178.59 -35.87 0.08 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.422 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -120.52 122.76 28.46 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 109.605 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.421 ' HB2' ' CA ' ' A' ' 38' ' ' GLY . 18.3 Cg_endo -74.98 126.7 10.15 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -139.84 49.91 1.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.8 OUTLIER -116.48 -168.25 1.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 108.259 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 35' ' ' CYS . 27.0 t70 -38.15 -51.16 1.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -124.75 -56.96 1.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.421 ' CA ' ' HB2' ' A' ' 33' ' ' PRO . . . 146.16 51.5 0.03 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -114.87 1.76 14.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.694 ' CB ' HD23 ' A' ' 28' ' ' LEU . 1.5 p-10 -64.31 -12.82 45.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.422 ' OE2' ' C ' ' A' ' 32' ' ' HIS . 6.2 pt-20 -147.37 24.42 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -51.98 -77.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 108.043 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.25 45.84 2.89 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.476 1.11 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.423 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 42.1 t . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.73 12.28 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.466 1.771 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 126.14 9.74 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.482 1.78 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.587 ' O ' ' CD2' ' A' ' 23' ' ' TYR . . . 179.87 80.72 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.485 ' CG ' ' OH ' ' A' ' 23' ' ' TYR . 2.1 tt0 -127.18 31.51 5.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 110.291 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.658 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -64.03 -156.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 111.053 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -113.56 17.06 18.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.34 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.658 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 0.5 OUTLIER 76.62 51.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 108.317 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.3 p -137.49 8.62 2.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.977 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.627 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.3 pt-20 176.15 113.39 0.12 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.346 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.548 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.03 111.9 3.43 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.799 . . . . 0.0 110.966 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.482 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.2 Cg_endo -75.02 -64.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.521 1.8 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.57 92.93 0.18 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.428 ' HA ' ' CG ' ' A' ' 25' ' ' GLN . . . -49.09 132.11 19.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.776 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 178.37 85.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.58 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -57.75 -12.87 11.16 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.457 1.098 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER -54.42 -19.78 6.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 0.755 . . . . 0.0 110.293 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.423 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 26.6 t -136.62 -79.44 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 108.318 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.587 ' CD2' ' O ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -89.64 151.76 46.2 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.46 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 18.1 Cg_endo -75.02 13.16 1.07 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.539 1.81 . . . . 0.0 110.957 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.56 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -56.33 -14.95 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.321 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.83 -28.34 68.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 58.7 m95 -58.62 -25.4 62.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 107.997 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.786 HD23 ' CB ' ' A' ' 40' ' ' ASP . 5.0 mp -70.65 147.75 48.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.453 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 0.7 OUTLIER 46.85 73.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 108.301 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.55 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.2 OUTLIER -133.11 -53.02 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.55 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 177.99 -44.74 0.09 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.437 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.2 OUTLIER -117.1 128.65 25.88 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 109.621 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.463 ' HB2' ' CA ' ' A' ' 38' ' ' GLY . 18.4 Cg_endo -75.0 110.1 3.05 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.522 1.801 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -129.73 55.86 1.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -119.94 -165.12 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 108.332 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 35' ' ' CYS . 20.2 t0 -39.48 -50.17 2.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.28 -57.71 1.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.463 ' CA ' ' HB2' ' A' ' 33' ' ' PRO . . . 148.31 44.45 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.453 ' CZ ' ' HB2' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -109.14 -14.85 14.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 0.737 . . . . 0.0 110.344 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.786 ' CB ' HD23 ' A' ' 28' ' ' LEU . 5.0 p-10 -46.06 -26.39 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.453 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 8.1 pt-20 -138.41 34.35 2.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.533 ' CG ' ' N ' ' A' ' 43' ' ' GLY . 2.0 t-105 -50.75 -86.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 108.039 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.533 ' N ' ' CG ' ' A' ' 42' ' ' TRP . . . -77.4 50.86 3.23 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.501 1.125 . . . . 0.0 111.001 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.4 t . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 174.11 13.35 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.462 1.77 . . . . 0.0 111.002 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 131.28 14.17 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.555 1.818 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.487 ' CA ' ' HG2' ' A' ' 16' ' ' PRO . . . 178.59 82.06 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.475 ' NE2' ' OH ' ' A' ' 23' ' ' TYR . 6.5 tt0 -126.9 33.96 4.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 110.26 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.664 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -66.84 -158.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.08 17.6 18.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.664 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 2.0 t 76.87 51.48 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 108.351 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 p -136.9 8.71 3.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.997 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.628 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 12.1 pt-20 175.92 113.77 0.12 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.546 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -75.01 110.53 3.14 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.511 1.795 . . . . 0.0 111.021 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.493 ' HD3' ' O ' ' A' ' 14' ' ' GLU . 18.3 Cg_endo -74.97 -65.29 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -140.58 85.53 0.21 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.125 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.432 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -55.59 132.74 49.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.42 ' C ' ' N ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER 179.01 84.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.122 . . . . 0.0 109.568 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -43.32 -24.12 0.33 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.136 . . . . 0.0 111.045 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.42 ' N ' ' C ' ' A' ' 19' ' ' HIS . 3.0 tp10 -40.96 -29.2 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 0.761 . . . . 0.0 110.29 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.415 ' N ' ' C ' ' A' ' 20' ' ' GLY . 7.3 t -136.24 -74.19 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 108.288 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.475 ' OH ' ' NE2' ' A' ' 9' ' ' GLN . 15.5 m-85 -88.76 148.87 42.61 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 111.043 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.456 ' C ' ' N ' ' A' ' 26' ' ' ASP . 18.1 Cg_endo -75.03 9.59 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.45 ' OE1' ' CB ' ' A' ' 23' ' ' TYR . 8.7 mt-30 -40.74 -26.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.456 ' N ' ' C ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -44.95 -47.08 11.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.401 ' C ' ' O ' ' A' ' 26' ' ' ASP . 47.6 m95 -41.45 -44.31 2.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 107.979 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.774 HD23 ' CB ' ' A' ' 40' ' ' ASP . 4.3 mp -61.57 147.57 45.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.465 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 35.9 t 45.31 75.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 108.291 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.519 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -135.6 -52.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.519 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 178.12 -45.71 0.09 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.554 1.159 . . . . 0.0 110.975 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.42 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -119.14 129.67 25.27 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 109.6 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.72 4.67 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.528 1.804 . . . . 0.0 110.994 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.67 57.6 1.8 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -116.68 -164.09 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 108.304 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 35' ' ' CYS . 19.6 t0 -39.29 -48.48 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -129.87 -53.83 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 147.63 70.22 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -143.13 15.09 1.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.774 ' CB ' HD23 ' A' ' 28' ' ' LEU . 1.9 p-10 -78.76 -1.55 35.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.465 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 10.3 pt-20 -155.72 25.6 0.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.601 ' CG ' ' N ' ' A' ' 43' ' ' GLY . 9.6 p-90 -60.7 -59.11 5.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 108.008 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.601 ' N ' ' CG ' ' A' ' 42' ' ' TRP . . . -78.86 5.12 58.99 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.465 1.103 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.0 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 174.62 12.45 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.493 1.786 . . . . 0.0 111.038 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 141.93 27.19 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.505 1.792 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.497 ' HA2' ' CG ' ' A' ' 16' ' ' PRO . . . 178.89 81.26 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.468 1.105 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -123.89 28.87 6.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 110.286 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.721 ' HE2' HD22 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -64.6 -154.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.63 17.28 17.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.628 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 13.4 t 75.38 53.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 108.295 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.8 p -140.75 9.97 2.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.645 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 7.9 pt-20 176.14 113.26 0.12 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.505 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.95 110.65 3.16 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.512 1.796 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.497 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.0 Cg_endo -75.07 -52.48 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.496 1.788 . . . . 0.0 110.959 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . -138.43 59.55 0.6 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.527 1.142 . . . . 0.0 110.957 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.648 ' HB1' ' HA ' ' A' ' 26' ' ' ASP . . . -38.69 118.47 0.75 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.463 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER 179.49 86.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.597 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.448 ' C ' ' N ' ' A' ' 22' ' ' CYS . . . -40.13 -25.49 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 19' ' ' HIS . 2.8 tp10 -39.71 -28.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.761 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.448 ' N ' ' C ' ' A' ' 20' ' ' GLY . 13.4 t -137.75 -68.68 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 108.283 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.461 ' CE1' ' O ' ' A' ' 8' ' ' GLY . 14.1 m-85 -95.1 137.99 22.09 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.173 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -74.99 5.12 4.17 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.512 1.796 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.55 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -55.66 -14.07 2.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.648 ' HA ' ' HB1' ' A' ' 18' ' ' ALA . 1.0 OUTLIER -52.66 -33.46 47.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.429 ' O ' ' OD1' ' A' ' 30' ' ' ASP . 57.0 m95 -54.64 -36.71 64.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 107.951 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.721 HD22 ' HE2' ' A' ' 10' ' ' PHE . 5.3 mp -66.39 151.31 47.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 48.76 79.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 108.283 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.468 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 3.6 p-10 -142.7 -63.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 177.57 -34.41 0.08 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.455 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -119.52 125.89 27.26 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.473 0.749 . . . . 0.0 109.624 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.416 ' HB2' ' CA ' ' A' ' 38' ' ' GLY . 18.2 Cg_endo -75.03 131.49 14.32 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.518 1.799 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -149.8 39.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.57 ' SG ' HD21 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -108.22 -166.37 1.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 108.312 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 35' ' ' CYS . 0.2 OUTLIER -37.53 -53.74 1.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -119.42 -61.3 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.416 ' CA ' ' HB2' ' A' ' 33' ' ' PRO . . . 150.57 44.33 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 111.035 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -112.42 -5.22 14.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 0.0 110.333 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.563 ' CB ' HD23 ' A' ' 28' ' ' LEU . 45.4 p-10 -46.36 -27.97 1.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.455 ' OE2' ' C ' ' A' ' 32' ' ' HIS . 3.9 pt-20 -129.15 37.82 4.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -54.99 -93.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 108.031 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.73 52.15 3.15 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.518 1.136 . . . . 0.0 111.047 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.1 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.419 ' HG2' ' O ' ' A' ' 17' ' ' GLY . 18.3 Cg_endo -74.95 174.59 12.51 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.467 1.772 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.4 35.22 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.505 1.792 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.5 ' HA2' ' CG ' ' A' ' 16' ' ' PRO . . . 178.59 81.05 0.06 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.8 pm0 -125.95 29.58 5.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.666 ' CE1' ' NE2' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -65.05 -155.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.997 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.45 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -114.9 21.67 14.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 110.296 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.656 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 43.5 t 70.15 57.78 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 108.334 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.8 p -147.03 10.69 1.02 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.614 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 7.9 pt-20 175.2 111.34 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.459 ' HA ' ' OE1' ' A' ' 25' ' ' GLN . 18.1 Cg_endo -75.06 113.14 3.72 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.784 . . . . 0.0 110.959 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.5 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.5 Cg_endo -74.97 -57.42 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 0.0 111.042 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.419 ' O ' ' HG2' ' A' ' 6' ' ' PRO . . . -134.2 59.45 0.67 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.539 1.149 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -42.76 120.26 1.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER 179.33 90.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.591 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 22' ' ' CYS . . . -40.45 -25.34 0.09 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 19' ' ' HIS . 1.2 tt0 -39.49 -29.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 0.787 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 20' ' ' GLY . 13.5 t -136.36 -72.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.289 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.44 ' C ' ' H ' ' A' ' 25' ' ' GLN . 75.5 m-85 -93.19 147.27 33.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -74.98 13.09 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.428 1.751 . . . . 0.0 110.986 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.666 ' NE2' ' CE1' ' A' ' 10' ' ' PHE . 12.7 mm-40 -51.76 -18.43 1.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.283 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' A' ' 26' ' ' ASP . 1.1 t0 -51.42 -43.9 62.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.4 ' O ' ' OD1' ' A' ' 30' ' ' ASP . 37.9 m95 -44.83 -36.96 3.52 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.912 HD23 ' CB ' ' A' ' 40' ' ' ASP . 3.6 mp -76.99 157.54 31.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 46.66 75.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 108.289 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.487 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 1.3 p-10 -137.06 -60.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.419 ' C ' ' OE2' ' A' ' 41' ' ' GLU . . . 179.38 -37.55 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 110.971 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.432 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 1.1 m80 -121.77 131.76 24.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 109.575 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 147.95 34.7 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.5 1.789 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.67 45.44 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.441 ' SG ' ' O ' ' A' ' 12' ' ' CYS . 1.1 m -119.84 -169.45 1.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 108.288 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 35' ' ' CYS . 21.5 t70 -37.82 -58.2 0.94 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.19 -58.58 2.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 146.48 43.87 0.04 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.456 1.098 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.1 ptt180 -103.45 -9.25 19.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.752 . . . . 0.0 110.3 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.912 ' CB ' HD23 ' A' ' 28' ' ' LEU . 21.8 p-10 -45.9 -27.36 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.432 ' OE2' ' C ' ' A' ' 32' ' ' HIS . 5.3 pt-20 -138.51 37.27 2.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 63.7 t-105 -51.37 -87.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 107.997 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.24 51.23 3.23 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.524 1.14 . . . . 0.0 111.065 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.422 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 27.0 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.66 15.93 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 140.63 25.58 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.475 1.776 . . . . 0.0 110.975 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.616 ' O ' ' CE2' ' A' ' 23' ' ' TYR . . . 179.36 81.06 0.06 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -128.27 27.84 5.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 0.795 . . . . 0.0 110.258 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.653 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -64.36 -158.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.75 18.91 17.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.653 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 6.7 t 74.52 52.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 108.234 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.434 ' O ' ' NE ' ' A' ' 39' ' ' ARG . 20.0 p -137.83 8.59 2.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.618 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.1 pt-20 176.3 113.68 0.12 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.551 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.0 111.94 3.44 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.504 1.791 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.483 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.3 Cg_endo -74.98 -61.37 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -139.92 94.87 0.2 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.481 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -64.87 122.88 18.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 0.722 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.425 ' C ' ' N ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER 179.25 85.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.613 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -44.47 -22.83 0.43 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.132 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.425 ' N ' ' C ' ' A' ' 19' ' ' HIS . 2.8 tp10 -40.75 -30.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 110.305 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.422 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 37.2 t -128.41 -81.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 108.297 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.616 ' CE2' ' O ' ' A' ' 8' ' ' GLY . 0.3 OUTLIER -90.38 154.2 46.49 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.452 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 18.4 Cg_endo -74.92 32.47 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.472 1.775 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.505 ' H ' ' C ' ' A' ' 23' ' ' TYR . 17.1 mt-30 -59.84 -20.62 58.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.85 -38.98 73.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.411 ' O ' ' OD1' ' A' ' 30' ' ' ASP . 50.7 m95 -48.01 -30.86 4.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 108.031 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.828 HD23 ' CB ' ' A' ' 40' ' ' ASP . 4.6 mp -77.14 156.65 31.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 44.2 t 42.45 78.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 108.245 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.482 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 1.0 OUTLIER -137.39 -65.19 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 177.38 -33.68 0.08 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.413 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 1.6 t-80 -123.5 126.76 25.74 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.523 0.778 . . . . 0.0 109.596 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.471 ' N ' ' OE2' ' A' ' 41' ' ' GLU . 18.4 Cg_endo -74.98 132.88 15.96 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.536 1.809 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.6 29.82 4.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' A' ' 12' ' ' CYS . 18.0 m -102.6 -174.43 2.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 108.289 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' CYS . 28.3 t70 -39.68 -56.45 1.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -118.43 -47.67 2.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.604 ' O ' ' CZ3' ' A' ' 42' ' ' TRP . . . 134.43 76.54 0.09 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.434 ' NE ' ' O ' ' A' ' 13' ' ' SER . 5.1 ptm85 -132.54 7.06 4.13 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.529 0.782 . . . . 0.0 110.261 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.828 ' CB ' HD23 ' A' ' 28' ' ' LEU . 1.1 p-10 -76.85 -1.48 28.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.471 ' OE2' ' N ' ' A' ' 33' ' ' PRO . 4.0 pt-20 -144.68 16.96 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.296 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.604 ' CZ3' ' O ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -50.8 -79.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.68 50.24 3.22 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.464 1.103 . . . . 0.0 110.952 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 11.4 t . . . . . 0 C--N 1.326 -0.441 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.8 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.401 ' HG2' ' O ' ' A' ' 17' ' ' GLY . 18.2 Cg_endo -75.04 174.17 13.26 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 147.18 33.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.481 1.779 . . . . 0.0 110.962 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.485 ' HA2' ' CG ' ' A' ' 16' ' ' PRO . . . 178.14 81.68 0.06 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.97 30.43 6.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.633 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -65.55 -156.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 111.009 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.445 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 2.4 ttm-85 -114.98 20.95 14.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.633 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 42.2 t 72.06 54.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 108.3 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.85 9.39 1.95 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.041 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.625 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 7.8 pt-20 175.68 112.33 0.11 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.477 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.05 111.71 3.39 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.509 1.794 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.485 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.2 Cg_endo -75.01 -56.7 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.478 1.778 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.401 ' O ' ' HG2' ' A' ' 6' ' ' PRO . . . -134.58 56.03 0.72 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.516 1.135 . . . . 0.0 111.045 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.519 ' O ' ' CG ' ' A' ' 19' ' ' HIS . . . -40.45 120.34 1.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 0.738 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.519 ' CG ' ' O ' ' A' ' 18' ' ' ALA . 2.2 m-70 179.09 89.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.601 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.437 ' C ' ' N ' ' A' ' 22' ' ' CYS . . . -38.98 -26.59 0.05 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 19' ' ' HIS . 2.1 tp10 -39.74 -28.98 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 0.759 . . . . 0.0 110.266 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.437 ' N ' ' C ' ' A' ' 20' ' ' GLY . 6.4 t -140.37 -62.05 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 108.328 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -101.64 142.85 25.43 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.439 ' C ' ' N ' ' A' ' 26' ' ' ASP . 18.3 Cg_endo -74.99 9.77 1.92 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.536 1.809 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.538 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 1.1 mt-30 -46.91 -20.61 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.439 ' N ' ' C ' ' A' ' 24' ' ' PRO . 0.2 OUTLIER -47.93 -44.86 30.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -44.78 -39.36 5.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 107.986 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.835 HD23 ' CB ' ' A' ' 40' ' ' ASP . 3.9 mp -77.17 159.11 29.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.421 ' HA ' ' HB3' ' A' ' 41' ' ' GLU . 0.5 OUTLIER 41.81 76.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 108.312 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.507 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.3 OUTLIER -137.48 -50.83 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.507 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 179.13 -47.18 0.09 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.105 . . . . 0.0 111.044 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.435 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -122.39 137.29 27.46 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.747 . . . . 0.0 109.628 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 149.15 36.37 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.463 1.77 . . . . 0.0 111.062 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -164.93 54.56 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.8 OUTLIER -122.47 -166.49 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 108.305 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.461 ' C ' ' O ' ' A' ' 35' ' ' CYS . 1.1 t70 -36.16 -54.81 0.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.78 -63.87 1.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.524 ' O ' ' CE3' ' A' ' 42' ' ' TRP . . . 153.54 43.41 0.02 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -111.05 -3.42 15.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.835 ' CB ' HD23 ' A' ' 28' ' ' LEU . 24.7 p-10 -47.2 -26.91 1.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.435 ' OE2' ' C ' ' A' ' 32' ' ' HIS . 5.3 pt-20 -140.74 42.64 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.524 ' CE3' ' O ' ' A' ' 38' ' ' GLY . 0.4 OUTLIER -55.88 -76.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 107.969 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.41 45.65 2.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.1 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 172.9 15.47 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.526 1.803 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 110.17 3.07 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.53 1.805 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.457 ' CA ' ' CG ' ' A' ' 16' ' ' PRO . . . 179.84 80.34 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.444 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -130.13 147.11 51.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 0.803 . . . . 0.0 110.304 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.725 ' CE2' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -165.75 -157.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.534 ' O ' ' CB ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -116.0 10.7 15.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.268 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.632 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 2.7 t 90.1 55.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 108.329 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.2 p -140.42 6.87 2.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.001 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.654 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 8.2 pt-20 173.79 116.86 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.764 ' CB ' HD22 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.02 112.91 3.67 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.562 1.822 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.457 ' CG ' ' CA ' ' A' ' 8' ' ' GLY . 18.4 Cg_endo -74.99 -63.86 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.428 1.751 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -151.28 105.89 0.3 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.45 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -54.22 124.5 15.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 177.92 84.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.592 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -53.28 -16.68 4.94 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.134 . . . . 0.0 111.053 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -40.89 -37.28 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 0.0 110.271 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.0 t -127.83 -76.45 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 108.313 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.483 ' C ' ' H ' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -88.48 151.41 48.25 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.429 ' HB2' ' CD1' ' A' ' 27' ' ' TRP . 18.4 Cg_endo -74.92 37.7 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.587 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 4.6 mt-30 -59.64 -23.28 62.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -64.12 -24.47 67.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.429 ' CD1' ' HB2' ' A' ' 24' ' ' PRO . 23.3 m95 -61.24 -32.62 72.42 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.944 HD23 ' CB ' ' A' ' 40' ' ' ASP . 2.7 mp -72.7 154.78 40.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.432 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 0.8 OUTLIER 39.95 81.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 108.321 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.425 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 3.1 p-10 -137.51 -57.41 0.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 179.47 -40.81 0.08 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 1.2 m170 -126.41 134.48 26.05 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.443 0.731 . . . . 0.0 109.546 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.423 ' HB2' ' CA ' ' A' ' 38' ' ' GLY . 18.3 Cg_endo -74.99 137.06 21.25 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.453 1.765 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.38 33.21 3.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.415 ' SG ' ' O ' ' A' ' 12' ' ' CYS . 24.0 m -107.79 -176.01 2.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 108.303 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -39.93 -55.94 1.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.4 -51.56 2.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.423 ' CA ' ' HB2' ' A' ' 33' ' ' PRO . . . 136.69 68.91 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.549 1.155 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -118.14 -7.95 10.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 110.262 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.944 ' CB ' HD23 ' A' ' 28' ' ' LEU . 2.6 p-10 -61.92 -13.62 26.76 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.432 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 7.3 pt-20 -151.64 34.72 0.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -50.39 -83.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 108.032 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.9 52.0 3.2 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.9 t . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.416 ' HG2' ' O ' ' A' ' 17' ' ' GLY . 18.5 Cg_endo -74.96 175.14 11.62 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.509 1.794 . . . . 0.0 111.062 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 135.75 19.49 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.498 1.788 . . . . 0.0 110.943 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.589 ' O ' ' CE2' ' A' ' 23' ' ' TYR . . . 179.22 80.76 0.06 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.48 1.113 . . . . 0.0 110.966 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -125.11 34.32 4.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 110.297 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.653 ' CD2' ' O ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -67.27 -154.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 111.015 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.446 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -115.56 20.13 14.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.639 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 42.9 t 72.59 54.66 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 108.333 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.5 p -141.71 9.35 1.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.986 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.653 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 10.5 pt-20 175.79 113.11 0.11 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.463 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.05 111.63 3.37 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.487 ' HG2' ' CA ' ' A' ' 8' ' ' GLY . 18.1 Cg_endo -75.03 -59.49 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 0.0 110.954 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.416 ' O ' ' HG2' ' A' ' 6' ' ' PRO . . . -137.83 64.44 0.56 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.442 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -41.69 126.93 3.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.756 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.461 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER 179.34 87.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.626 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -41.1 -24.62 0.1 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 110.961 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -39.78 -32.52 0.15 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 0.774 . . . . 0.0 110.286 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.9 t -132.77 -74.34 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 108.324 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.589 ' CE2' ' O ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -90.11 149.15 40.96 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.426 ' C ' ' N ' ' A' ' 26' ' ' ASP . 18.2 Cg_endo -75.02 11.74 1.38 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.504 1.792 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.577 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 7.7 mt-30 -44.12 -23.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.428 ' O ' ' O ' ' A' ' 28' ' ' LEU . 0.4 OUTLIER -49.91 -45.15 50.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.3 m0 -43.83 -37.23 2.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 108.05 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.845 HD23 ' CB ' ' A' ' 40' ' ' ASP . 3.7 mp -77.41 156.07 31.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.433 ' HA ' ' HB3' ' A' ' 41' ' ' GLU . 0.5 OUTLIER 44.65 77.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 108.295 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.492 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.7 OUTLIER -136.37 -51.55 0.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.492 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 179.1 -46.66 0.09 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.438 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -118.85 132.45 23.9 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 0.788 . . . . 0.0 109.585 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 135.3 18.84 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.515 1.797 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -157.02 70.37 0.62 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.442 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -133.34 -164.4 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 108.336 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 35' ' ' CYS . 27.9 t0 -37.31 -46.57 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.09 -63.39 1.01 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 155.16 42.87 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.409 ' C ' ' N ' ' A' ' 41' ' ' GLU . 13.1 ptm180 -111.64 -7.04 14.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.757 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.845 ' CB ' HD23 ' A' ' 28' ' ' LEU . 24.1 p-10 -45.92 -27.09 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.244 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.438 ' OE2' ' C ' ' A' ' 32' ' ' HIS . 6.0 pt-20 -143.55 44.5 1.51 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 110.309 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -53.65 -81.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 108.045 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.07 48.77 3.39 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.405 ' CB ' ' HB2' ' A' ' 41' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 37.3 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 18.3 Cg_endo -75.02 156.36 42.9 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.447 1.762 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 6' ' ' PRO . 18.3 Cg_endo -74.98 118.57 5.32 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.461 1.769 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.413 ' HA3' ' OE1' ' A' ' 25' ' ' GLN . . . 178.01 83.18 0.06 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.465 1.103 . . . . 0.0 110.963 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.566 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 4.7 pm0 -121.94 152.21 39.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 110.295 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.764 ' CZ ' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -166.03 -158.16 0.33 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.464 ' O ' ' CB ' ' A' ' 12' ' ' CYS . 3.1 ttt180 -113.96 12.17 17.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.662 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 5.2 t 85.58 56.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 108.246 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.4 p -142.61 7.82 1.71 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.655 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 12.8 pt-20 174.15 116.99 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.801 ' CB ' HD22 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.05 112.99 3.69 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.497 1.788 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -70.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 0.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -141.85 101.16 0.27 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.63 126.15 9.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 0.734 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 178.06 85.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.575 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -68.25 -1.57 21.46 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.46 -11.04 60.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.0 t -141.7 -78.9 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.133 . . . . 0.0 108.298 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.566 ' CE1' ' HB3' ' A' ' 9' ' ' GLN . 23.9 m-85 -88.19 167.0 20.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.403 ' O ' ' N ' ' A' ' 27' ' ' TRP . 18.4 Cg_endo -74.98 12.64 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.504 1.792 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.602 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 12.7 mt-30 -45.14 -37.42 4.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -53.07 -42.37 65.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 109.322 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.403 ' N ' ' O ' ' A' ' 24' ' ' PRO . 41.7 m95 -42.16 -44.57 3.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.164 . . . . 0.0 108.002 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.969 HD23 ' CB ' ' A' ' 40' ' ' ASP . 2.2 mp -64.6 152.8 41.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 28' ' ' LEU . 53.5 t 40.71 81.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 108.301 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.457 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.4 OUTLIER -136.57 -48.07 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.457 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 179.55 -49.7 0.09 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.506 1.128 . . . . 0.0 111.042 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.402 ' O ' ' CD ' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -127.01 153.44 76.48 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 0.762 . . . . 0.0 109.617 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 161.79 38.29 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.473 1.775 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -167.33 32.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 36' ' ' ASP . 5.3 m -113.98 -172.51 2.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 108.272 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 35' ' ' CYS . 0.5 OUTLIER -39.02 -57.93 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.01 -50.45 2.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.17 55.4 0.1 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.556 1.16 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -109.03 -15.07 14.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 0.0 110.328 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.969 ' CB ' HD23 ' A' ' 28' ' ' LEU . 4.9 p-10 -52.63 -21.4 3.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.275 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.464 ' CG ' ' OD2' ' A' ' 40' ' ' ASP . 0.8 OUTLIER -134.89 31.01 3.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 58.3 t-105 -51.6 -88.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 108.019 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.33 55.6 2.82 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 49.1 t . . . . . 0 C--N 1.325 -0.478 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.946 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.43 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 40.7 t . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 174.89 12.02 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.481 1.78 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 124.72 8.85 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.434 1.755 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.593 ' O ' ' CD2' ' A' ' 23' ' ' TYR . . . -177.09 79.5 0.07 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.543 ' HG3' ' CE1' ' A' ' 23' ' ' TYR . 1.4 tt0 -127.66 33.46 4.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 0.76 . . . . 0.0 110.249 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.693 ' HZ ' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -66.17 -158.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.51 17.49 19.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.102 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.646 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 2.8 t 76.71 52.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 108.275 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.5 p -138.64 9.0 2.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.951 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.622 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.2 pt-20 176.2 113.41 0.12 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.309 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.627 ' CB ' HD22 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -75.0 111.16 3.26 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.492 1.785 . . . . 0.0 111.048 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.474 ' HD3' ' O ' ' A' ' 14' ' ' GLU . 18.2 Cg_endo -75.02 -62.34 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.535 1.808 . . . . 0.0 110.985 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -141.91 96.21 0.2 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.476 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -57.58 125.75 24.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 0.772 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 178.43 85.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.627 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.446 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -50.08 -18.99 2.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -41.11 -37.46 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 110.312 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.43 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 38.1 t -123.02 -79.99 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 108.274 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CD2' ' O ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -89.31 155.42 49.0 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.57 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 18.2 Cg_endo -75.04 34.06 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.783 . . . . 0.0 110.98 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.505 ' H ' ' C ' ' A' ' 23' ' ' TYR . 8.2 mt-30 -58.5 -21.51 52.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.39 -41.2 93.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -45.27 -31.09 1.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 108.02 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.808 HD23 ' CB ' ' A' ' 40' ' ' ASP . 4.6 mp -77.51 151.69 34.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.459 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 47.4 t 43.32 73.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 108.33 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.53 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.3 OUTLIER -132.33 -53.04 0.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.53 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 177.17 -45.09 0.1 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.442 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 13.5 t60 -119.84 127.84 26.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 109.649 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.464 ' HB2' ' CA ' ' A' ' 38' ' ' GLY . 18.3 Cg_endo -74.99 114.46 4.03 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.463 1.77 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -127.27 54.31 1.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.7 OUTLIER -114.73 -167.8 1.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 108.301 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 35' ' ' CYS . 22.1 t70 -40.01 -51.39 2.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -124.36 -48.45 1.83 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.464 ' CA ' ' HB2' ' A' ' 33' ' ' PRO . . . 136.97 69.62 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.546 1.154 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -137.65 10.92 2.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.808 ' CB ' HD23 ' A' ' 28' ' ' LEU . 2.0 p-10 -75.72 -2.32 29.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.459 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 7.8 pt-20 -154.67 26.14 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -50.28 -80.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 108.001 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.99 46.64 2.98 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 36.7 t . . . . . 0 C--N 1.325 -0.478 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.435 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 26.0 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 171.62 17.96 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.471 1.774 . . . . 0.0 110.974 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 141.66 26.72 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.618 ' O ' ' CE2' ' A' ' 23' ' ' TYR . . . 178.68 82.11 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.69 31.05 5.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.654 ' HZ ' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -65.85 -158.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 111.023 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.66 18.62 17.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.642 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 4.9 t 75.97 52.56 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 108.314 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.4 p -137.81 8.44 2.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.996 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.618 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.7 pt-20 175.92 113.79 0.12 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 110.339 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.587 ' CB ' HD22 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.95 110.98 3.22 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.463 1.77 . . . . 0.0 110.977 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.483 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.4 Cg_endo -74.97 -60.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.524 1.802 . . . . 0.0 111.027 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -139.14 94.44 0.2 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.117 . . . . 0.0 110.944 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.484 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -68.66 122.17 17.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 0.732 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 178.81 86.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.603 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.476 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -41.83 -23.96 0.15 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.461 1.101 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 19' ' ' HIS . 4.0 tp10 -40.75 -29.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 0.786 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.435 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 44.5 t -130.02 -82.3 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 108.303 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.618 ' CE2' ' O ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -88.71 159.15 46.91 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 111.008 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.562 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -74.99 13.39 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.461 1.769 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.484 ' CB ' ' HA ' ' A' ' 18' ' ' ALA . 15.6 mt-30 -41.75 -26.96 0.09 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 110.261 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -47.26 -47.4 24.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.427 ' C ' ' O ' ' A' ' 26' ' ' ASP . 16.4 m0 -40.49 -44.56 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 107.968 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.81 HD23 ' CB ' ' A' ' 40' ' ' ASP . 4.3 mp -63.41 146.91 52.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.45 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 52.5 t 43.86 75.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 108.303 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.531 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -134.56 -52.33 0.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.531 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 178.21 -46.15 0.09 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.532 1.145 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.437 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -124.44 138.14 30.51 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 0.744 . . . . 0.0 109.587 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.43 ' N ' ' OE2' ' A' ' 41' ' ' GLU . 18.2 Cg_endo -75.04 145.03 30.82 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.781 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.74 26.76 1.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.42 ' SG ' ' O ' ' A' ' 12' ' ' CYS . 9.6 m -98.23 -173.26 2.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 108.274 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -39.55 -51.96 2.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.9 -51.9 2.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.414 ' CA ' ' HB2' ' A' ' 33' ' ' PRO . . . 138.88 74.22 0.05 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -132.1 7.38 4.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.581 0.813 . . . . 0.0 110.286 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.81 ' CB ' HD23 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -76.07 -1.98 28.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.45 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 8.3 pt-20 -151.7 25.05 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.497 ' CG ' ' N ' ' A' ' 43' ' ' GLY . 3.4 t90 -50.33 -83.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.497 ' N ' ' CG ' ' A' ' 42' ' ' TRP . . . -78.08 48.5 3.05 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 18.8 t . . . . . 0 C--N 1.326 -0.452 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.412 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 14.6 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.479 ' CG ' ' HB2' ' A' ' 19' ' ' HIS . 18.2 Cg_endo -75.02 174.94 11.93 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.518 1.799 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.435 ' O ' ' HG2' ' A' ' 16' ' ' PRO . 18.3 Cg_endo -75.01 151.64 39.73 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.782 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 176.59 79.52 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.483 1.115 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -132.24 21.03 4.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 0.796 . . . . 0.0 110.334 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.66 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -67.44 -156.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.417 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -115.32 19.31 15.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.66 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 34.9 t 73.52 55.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 108.297 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.7 p -144.57 9.23 1.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.007 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.533 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 7.7 pt-20 174.39 108.94 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.476 ' HG3' ' HB3' ' A' ' 28' ' ' LEU . 18.5 Cg_endo -74.98 111.69 3.39 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.441 ' HD3' ' O ' ' A' ' 14' ' ' GLU . 18.4 Cg_endo -74.96 -42.87 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.535 1.808 . . . . 0.0 111.051 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -158.27 99.0 0.18 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.122 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.631 ' HB1' ' HA ' ' A' ' 26' ' ' ASP . . . -71.69 129.43 38.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 0.746 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.479 ' HB2' ' CG ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER 179.16 86.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.613 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -48.7 -20.65 1.82 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -48.41 -23.32 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 0.79 . . . . 0.0 110.289 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.412 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 10.2 t -137.17 -76.46 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 108.299 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.443 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 15.4 m-85 -92.76 157.11 40.2 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.42 ' C ' ' N ' ' A' ' 26' ' ' ASP . 18.2 Cg_endo -75.04 7.6 2.81 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.496 1.787 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.559 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 22.4 mm-40 -45.76 -23.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.631 ' HA ' ' HB1' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -55.69 -46.02 77.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.261 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' ASP . 21.5 m95 -41.07 -37.42 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 108.008 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.966 HD23 ' CB ' ' A' ' 40' ' ' ASP . 2.5 mp -77.97 149.97 34.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.408 ' HA ' ' HB3' ' A' ' 41' ' ' GLU . 0.5 OUTLIER 52.32 71.32 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 108.315 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.531 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.3 OUTLIER -134.15 -52.16 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.531 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 178.71 -45.89 0.09 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.514 1.134 . . . . 0.0 111.044 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.447 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -119.73 135.08 23.97 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.513 0.772 . . . . 0.0 109.584 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 151.23 39.12 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.523 1.801 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -159.12 47.71 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.425 ' SG ' ' O ' ' A' ' 12' ' ' CYS . 0.8 OUTLIER -120.13 -169.15 1.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 108.284 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 35' ' ' CYS . 2.0 t70 -38.86 -56.83 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -114.72 -60.64 1.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 148.35 43.67 0.03 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -102.43 -10.96 18.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.966 ' CB ' HD23 ' A' ' 28' ' ' LEU . 19.9 p-10 -45.79 -27.36 0.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.447 ' OE2' ' C ' ' A' ' 32' ' ' HIS . 7.1 pt-20 -140.33 38.26 1.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 61.6 t-105 -50.89 -84.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 107.957 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.78 48.32 3.23 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.415 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 44.4 t . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 174.27 13.08 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.492 1.785 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 127.01 10.37 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.505 1.792 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.495 ' CA ' ' HG2' ' A' ' 16' ' ' PRO . . . 178.3 81.67 0.06 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.447 1.092 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -126.07 35.9 4.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.757 . . . . 0.0 110.331 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.654 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -68.71 -158.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.447 1.092 . . . . 0.0 110.973 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.2 17.31 18.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.654 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 5.7 t 77.45 53.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 108.269 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.7 p -139.16 8.64 2.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.002 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.592 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 13.1 pt-20 175.3 112.32 0.1 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.559 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.0 110.98 3.22 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 111.0 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.495 ' HG2' ' CA ' ' A' ' 8' ' ' GLY . 18.4 Cg_endo -75.03 -62.92 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.462 1.769 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.72 89.37 0.17 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.01 134.34 13.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.787 . . . . 0.0 109.329 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.06 87.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.63 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.466 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -58.52 -11.76 11.17 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.528 1.142 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -55.89 -30.92 62.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 0.771 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 17.7 t -125.52 -77.4 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.122 . . . . 0.0 108.32 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.467 ' CD2' ' O ' ' A' ' 8' ' ' GLY . 7.4 m-85 -89.03 158.31 47.19 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 14.0 0.93 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.506 1.793 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.449 ' CD ' ' HA3' ' A' ' 8' ' ' GLY . 1.7 mt-30 -46.64 -25.57 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.333 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -52.81 -42.7 65.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 44.7 m95 -45.87 -34.21 3.69 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.823 HD23 ' CB ' ' A' ' 40' ' ' ASP . 4.7 mp -77.18 156.84 31.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 45.72 72.25 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 108.35 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.482 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.4 OUTLIER -131.93 -49.3 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.482 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 179.14 -49.24 0.09 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.436 ' O ' ' OE2' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -126.89 144.76 51.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 109.614 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.425 ' HA ' ' OE2' ' A' ' 41' ' ' GLU . 18.3 Cg_endo -75.05 154.89 42.59 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.453 1.765 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -168.96 33.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -94.13 -164.87 1.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 108.293 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' CYS . 0.3 OUTLIER -39.59 -51.4 2.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -116.44 -61.9 1.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 150.77 60.6 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -134.96 18.75 3.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 110.276 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.823 ' CB ' HD23 ' A' ' 28' ' ' LEU . 5.6 p-10 -80.53 2.24 26.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.443 ' OE2' ' OD2' ' A' ' 40' ' ' ASP . 0.1 OUTLIER -163.73 38.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 41.3 t-105 -51.53 -90.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 108.027 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.07 46.56 2.98 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.445 1.09 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 13.8 t . . . . . 0 C--N 1.325 -0.474 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 23.1 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.419 ' HG2' ' O ' ' A' ' 17' ' ' GLY . 18.2 Cg_endo -75.01 174.82 12.13 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 141.39 26.65 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.515 1.797 . . . . 0.0 110.998 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.494 ' HA2' ' CG ' ' A' ' 16' ' ' PRO . . . 178.91 81.05 0.06 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.138 . . . . 0.0 111.022 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -123.29 27.34 7.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 0.783 . . . . 0.0 110.263 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.715 ' HE2' HD22 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -62.98 -154.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.963 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.94 18.71 16.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.618 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 19.3 t 73.88 53.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 108.312 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.9 t -140.4 9.72 2.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.992 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.653 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.5 pt-20 176.33 113.53 0.12 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.269 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.497 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.06 110.48 3.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.494 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.3 Cg_endo -74.97 -52.3 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.457 1.767 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.448 ' O ' ' NE2' ' A' ' 25' ' ' GLN . . . -138.59 59.51 0.6 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.12 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.566 ' HB1' ' HA ' ' A' ' 26' ' ' ASP . . . -38.52 118.73 0.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 0.765 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.472 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER 179.48 86.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.636 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 22' ' ' CYS . . . -40.26 -25.34 0.08 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 19' ' ' HIS . 3.0 tp10 -39.48 -28.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 0.733 . . . . 0.0 110.331 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' GLY . 11.4 t -138.35 -71.48 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 108.326 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.417 ' HB2' ' NE2' ' A' ' 25' ' ' GLN . 9.7 m-85 -90.66 137.71 26.97 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 111.049 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.599 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 18.4 Cg_endo -74.95 3.5 5.54 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.447 1.762 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.529 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -53.23 -15.99 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.566 ' HA ' ' HB1' ' A' ' 18' ' ' ALA . 0.8 OUTLIER -47.87 -42.17 25.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 24' ' ' PRO . 51.3 m95 -45.84 -42.72 12.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 108.0 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.715 HD22 ' HE2' ' A' ' 10' ' ' PHE . 5.2 mp -61.77 149.36 40.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.47 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 0.8 OUTLIER 43.76 74.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 108.306 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.539 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -135.7 -52.6 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.539 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 178.31 -45.41 0.09 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.425 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.8 OUTLIER -115.4 135.14 22.54 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.538 0.787 . . . . 0.0 109.639 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 127.1 10.38 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.504 1.792 . . . . 0.0 110.97 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -155.82 69.83 0.68 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.6 ' SG ' HD21 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -134.79 -162.75 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 108.324 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 35' ' ' CYS . 12.5 t70 -37.62 -49.11 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -126.58 -59.45 1.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 151.74 44.0 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.563 1.164 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.578 ' HB3' ' CE3' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -116.63 -3.76 11.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.774 . . . . 0.0 110.332 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.582 ' CB ' HD23 ' A' ' 28' ' ' LEU . 37.7 p-10 -46.09 -28.91 1.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.47 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 5.2 pt-20 -138.06 39.9 2.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.25 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.578 ' CE3' ' HB3' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -51.61 -83.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 107.998 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.51 45.85 2.95 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.467 1.104 . . . . 0.0 111.041 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.436 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 4.0 t . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.461 ' CG ' ' HB2' ' A' ' 19' ' ' HIS . 18.4 Cg_endo -75.03 174.88 12.02 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.484 1.781 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 151.68 39.98 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.457 1.767 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.494 ' HA3' ' CG ' ' A' ' 25' ' ' GLN . . . 178.57 81.29 0.06 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -141.82 22.36 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 0.788 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.729 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -67.58 -159.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.578 ' O ' ' CB ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -106.07 -2.39 22.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.261 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.729 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 4.4 t 93.87 55.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 108.29 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.03 10.44 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.45 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.2 pt-20 175.2 108.38 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.748 ' HB3' HD22 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.98 112.98 3.69 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.506 1.793 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.412 ' HG2' ' HA2' ' A' ' 8' ' ' GLY . 18.4 Cg_endo -75.05 -39.32 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.511 1.795 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.439 ' O ' ' CB ' ' A' ' 25' ' ' GLN . . . -164.68 114.43 0.6 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.455 1.097 . . . . 0.0 111.044 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.457 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -84.57 126.44 33.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 0.79 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.461 ' HB2' ' CG ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER 179.38 83.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.611 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -46.21 -22.47 0.93 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -49.49 -22.7 1.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 0.812 . . . . 0.0 110.324 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.436 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 16.6 t -133.5 -78.58 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 108.284 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.462 ' CD2' ' N ' ' A' ' 8' ' ' GLY . 7.3 m-85 -94.64 158.76 34.86 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.405 ' C ' ' N ' ' A' ' 26' ' ' ASP . 18.2 Cg_endo -74.98 11.01 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.533 1.807 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.62 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 79.2 mm-40 -46.86 -23.61 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' A' ' 28' ' ' LEU . 23.0 t0 -52.36 -41.31 62.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.424 ' O ' ' OD1' ' A' ' 30' ' ' ASP . 56.2 m95 -44.27 -41.44 5.93 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.94 HD23 ' CB ' ' A' ' 40' ' ' ASP . 3.5 mp -68.35 157.24 36.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER 41.2 80.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 108.307 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.465 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 3.1 p-10 -139.95 -59.2 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 179.16 -39.16 0.08 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 0.5 OUTLIER -127.17 136.12 28.41 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.585 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 32' ' ' HIS . 18.2 Cg_endo -75.04 151.94 39.94 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.532 1.806 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -149.3 31.24 0.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 36' ' ' ASP . 6.8 m -106.13 -173.18 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 108.281 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 35' ' ' CYS . 22.7 t70 -38.54 -55.04 1.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.59 -51.86 2.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 138.67 74.77 0.06 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -129.7 7.04 5.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 110.286 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.94 ' CB ' HD23 ' A' ' 28' ' ' LEU . 1.6 p-10 -75.83 -1.41 25.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.432 ' OE1' ' OD1' ' A' ' 30' ' ' ASP . 7.3 pt-20 -157.26 25.35 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -50.37 -79.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 107.982 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.45 50.13 3.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.538 1.149 . . . . 0.0 110.966 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.417 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 35.6 t . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 174.65 12.41 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.502 1.79 . . . . 0.0 110.973 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 144.73 30.62 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.594 ' O ' ' CE2' ' A' ' 23' ' ' TYR . . . 179.2 81.09 0.06 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -125.83 29.99 5.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.695 ' CD2' ' O ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -67.28 -154.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -112.48 16.27 19.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.238 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.622 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 12.1 t 74.64 55.7 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.133 . . . . 0.0 108.331 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.9 p -142.74 11.82 1.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.01 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.695 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 12.7 pt-20 176.39 114.97 0.13 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.467 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.98 110.47 3.12 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.492 ' HD3' ' O ' ' A' ' 14' ' ' GLU . 18.2 Cg_endo -75.08 -56.51 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.554 1.818 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -131.58 61.9 0.65 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.53 1.144 . . . . 0.0 111.026 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.473 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -42.18 115.87 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.462 ' C ' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 178.8 89.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.539 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -43.89 -21.12 0.18 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.462 ' N ' ' C ' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -39.23 -38.35 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 110.326 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 32.4 t -124.28 -77.22 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 108.295 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.594 ' CE2' ' O ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -89.31 151.7 46.76 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.426 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 18.2 Cg_endo -75.04 27.54 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.455 1.766 . . . . 0.0 110.989 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.513 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 7.6 mt-30 -54.67 -23.08 15.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -52.11 -44.78 64.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.092 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.412 ' O ' ' OD1' ' A' ' 30' ' ' ASP . 34.8 m95 -43.91 -33.78 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 108.015 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.528 HD23 ' CB ' ' A' ' 40' ' ' ASP . 4.3 mp -77.86 150.69 34.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.24 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.421 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 14.6 t 47.82 76.46 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 108.331 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.511 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 1.1 p-10 -136.79 -66.82 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 176.71 -32.66 0.08 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.432 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -116.08 120.06 35.9 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.542 0.789 . . . . 0.0 109.642 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.436 ' N ' ' OE2' ' A' ' 41' ' ' GLU . 18.3 Cg_endo -74.99 125.3 9.24 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.514 1.797 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -145.2 31.35 1.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.6 OUTLIER -100.21 -166.63 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 108.306 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 35' ' ' CYS . 2.4 t0 -38.24 -54.74 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.354 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -119.41 -57.23 2.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 145.51 44.3 0.04 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -111.07 -7.9 14.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.528 ' CB ' HD23 ' A' ' 28' ' ' LEU . 45.1 p-10 -46.16 -29.08 1.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.452 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 3.2 pt-20 -123.19 27.76 7.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 40.7 t90 -51.08 -91.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 108.005 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.15 51.23 3.2 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 13.0 t . . . . . 0 C--N 1.325 -0.489 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.1 p -41.21 154.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 0.73 . . . . 0.0 109.979 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.7 m -89.97 79.36 6.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.025 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.54 137.63 56.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.263 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.9 t 179.49 73.16 0.15 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 108.303 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.593 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 18.2 Cg_endo -74.98 173.96 13.6 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.477 1.777 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.414 ' O ' ' HG2' ' A' ' 16' ' ' PRO . 18.2 Cg_endo -74.95 154.1 42.49 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.478 1.778 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.466 ' HA3' ' CG ' ' A' ' 25' ' ' GLN . . . 177.32 78.07 0.05 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -135.19 20.32 3.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.716 ' CE2' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -65.11 -158.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.03 16.92 20.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.265 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.696 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 5.6 t 74.85 56.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 108.287 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.8 p -146.35 10.27 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.038 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.508 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.8 pt-20 174.1 109.55 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.272 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.794 ' CB ' HD22 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.04 112.0 3.46 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.477 1.777 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.436 ' HD3' ' O ' ' A' ' 14' ' ' GLU . 18.2 Cg_endo -75.02 -43.78 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.548 1.815 . . . . 0.0 110.95 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -160.05 106.56 0.29 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.499 1.125 . . . . 0.0 111.022 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.459 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -76.67 127.87 33.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.773 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.478 ' HB2' ' CG ' ' A' ' 6' ' ' PRO . 1.6 m-70 179.07 85.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.17 . . . . 0.0 109.633 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.484 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -50.22 -18.3 2.15 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 19' ' ' HIS . 3.6 tp10 -51.33 -27.97 11.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 0.78 . . . . 0.0 110.283 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.1 t -129.57 -78.19 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 108.352 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 6' ' ' PRO . 83.0 m-85 -89.36 159.58 44.15 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 111.045 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.426 ' C ' ' N ' ' A' ' 26' ' ' ASP . 18.0 Cg_endo -75.04 5.56 3.93 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.605 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 45.3 mm-40 -42.39 -25.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.426 ' N ' ' C ' ' A' ' 24' ' ' PRO . 0.3 OUTLIER -47.15 -45.02 22.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.357 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 24.0 m95 -41.73 -48.7 4.26 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.95 HD23 ' CB ' ' A' ' 40' ' ' ASP . 2.6 mp -58.18 151.36 19.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 28' ' ' LEU . 15.6 t 39.38 80.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 108.303 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.518 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -137.88 -51.67 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.246 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.518 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 178.62 -46.0 0.09 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.599 ' CD2' ' O ' ' A' ' 33' ' ' PRO . 28.7 t60 -123.66 142.48 39.27 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.486 0.757 . . . . 0.0 109.593 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.599 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 18.2 Cg_endo -75.04 144.9 30.65 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.474 1.776 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.16 38.24 1.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 36' ' ' ASP . 5.3 m -118.14 -172.53 2.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 108.317 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 35' ' ' CYS . 0.5 OUTLIER -38.99 -63.46 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.09 -49.52 3.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.37 67.1 0.08 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.557 1.161 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -119.95 -5.93 10.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 110.278 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.95 ' CB ' HD23 ' A' ' 28' ' ' LEU . 4.3 p-10 -66.08 -15.22 62.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 1.027 ' OE2' 'CA ' ' A' ' 48' ' ' ' CA' . 0.8 OUTLIER -135.43 18.19 3.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.244 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -51.42 -77.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 108.013 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.33 53.67 3.14 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 32.7 t -147.48 -47.99 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.68 -72.34 0.49 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.8 t -49.1 130.15 18.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 0.771 . . . . 0.0 110.417 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 73.9 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.016 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ' CA' . . . . . 1.027 'CA ' ' OE2' ' A' ' 41' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -117.23 156.46 27.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.988 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.5 p 44.36 90.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.021 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -140.9 173.27 11.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.3 t 178.84 74.86 0.14 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 108.237 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.61 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -74.99 174.47 12.73 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.519 1.8 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.418 ' O ' ' HG2' ' A' ' 16' ' ' PRO . 18.2 Cg_endo -75.08 151.65 39.42 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.482 1.78 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.514 ' O ' ' CD2' ' A' ' 23' ' ' TYR . . . 176.37 84.39 0.06 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.459 1.1 . . . . 0.0 110.951 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.04 26.62 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 0.0 110.277 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.722 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -71.56 -158.86 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 111.008 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.59 17.18 19.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.334 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.722 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 7.2 t 75.82 56.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 108.33 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 p -145.35 9.9 1.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.03 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.51 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.8 pt-20 175.06 108.41 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.331 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.618 ' HB3' HD22 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.98 111.64 3.37 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.484 1.781 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.455 ' HD2' ' OE1' ' A' ' 25' ' ' GLN . 18.4 Cg_endo -74.92 -51.85 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.491 1.785 . . . . 0.0 111.016 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -150.05 99.09 0.19 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 111.052 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.602 ' HB1' ' HA ' ' A' ' 26' ' ' ASP . . . -72.95 126.63 30.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 0.773 . . . . 0.0 109.285 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.412 ' C ' ' N ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER 179.26 84.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.625 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -44.44 -23.96 0.57 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.444 1.09 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 19' ' ' HIS . 4.9 tp10 -42.48 -27.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.753 . . . . 0.0 110.332 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.417 ' N ' ' C ' ' A' ' 20' ' ' GLY . 5.2 t -136.75 -74.43 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 108.299 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.61 ' CD1' ' O ' ' A' ' 6' ' ' PRO . 79.2 m-85 -89.54 150.84 45.14 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.404 ' C ' ' N ' ' A' ' 26' ' ' ASP . 18.1 Cg_endo -75.02 7.62 2.79 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.455 ' OE1' ' HD2' ' A' ' 16' ' ' PRO . 47.5 mm-40 -48.06 -22.87 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.602 ' HA ' ' HB1' ' A' ' 18' ' ' ALA . 2.7 t70 -53.25 -39.04 63.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -48.3 -35.27 11.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 107.989 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.811 HD23 ' CB ' ' A' ' 40' ' ' ASP . 5.0 mp -70.64 150.47 45.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.43 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 0.8 OUTLIER 49.22 78.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 108.293 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.484 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 2.4 p-10 -139.64 -62.0 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.74 -35.69 0.08 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.53 1.143 . . . . 0.0 110.97 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.423 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 1.7 m-70 -122.24 129.81 24.95 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.66 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 143.49 29.06 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.52 1.8 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -142.49 35.24 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.408 ' SG ' ' O ' ' A' ' 12' ' ' CYS . 18.0 m -112.44 -174.16 2.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 108.342 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -40.37 -50.35 2.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.16 -55.04 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 140.57 61.61 0.04 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -112.07 -6.68 14.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.767 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.811 ' CB ' HD23 ' A' ' 28' ' ' LEU . 2.5 p-10 -60.78 -14.96 24.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.43 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 5.8 pt-20 -147.79 31.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 45.5 t-105 -51.17 -86.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 108.011 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.66 50.88 3.32 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 0.0 111.0 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.467 ' O ' HG22 ' A' ' 46' ' ' THR . 0.5 OUTLIER -121.12 -39.98 2.65 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.02 98.18 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.531 1.144 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 44' ' ' CYS . 1.5 t -129.05 139.09 52.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.766 . . . . 0.0 110.413 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.006 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.0 p -178.08 126.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 110.036 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m 59.24 74.81 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.988 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.545 ' HB3' ' CD2' ' A' ' 19' ' ' HIS . 0.9 OUTLIER -108.49 156.17 19.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.401 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 32.3 t 179.18 73.83 0.15 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 108.31 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 174.31 13.0 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.502 1.791 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 128.06 11.19 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.449 1.763 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.558 ' O ' ' CD1' ' A' ' 23' ' ' TYR . . . 179.82 80.47 0.06 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.576 1.172 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -126.5 28.49 5.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.643 ' CD2' ' O ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -61.0 -156.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.85 17.32 18.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.636 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 1.9 t 76.25 49.88 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 108.307 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.61 8.71 3.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.974 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.643 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.8 pt-20 176.43 113.81 0.13 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.5 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.01 111.42 3.32 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.47 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.3 Cg_endo -74.97 -65.41 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.469 ' O ' ' NE2' ' A' ' 25' ' ' GLN . . . -141.92 85.25 0.2 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.444 ' HA ' ' CG ' ' A' ' 25' ' ' GLN . . . -42.13 131.5 3.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.545 ' CD2' ' HB3' ' A' ' 4' ' ' ARG . 0.1 OUTLIER 178.85 84.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 109.588 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -57.13 -13.5 9.45 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.67 -16.57 11.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.75 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 9.0 t -142.74 -73.28 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 108.329 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.558 ' CD1' ' O ' ' A' ' 8' ' ' GLY . 21.1 m-85 -88.44 143.57 32.54 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.4 Cg_endo -74.99 6.64 3.26 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.455 1.766 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.548 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -58.24 -12.62 3.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 110.335 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -61.15 -20.32 62.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 24.8 m0 -69.32 -23.48 63.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 107.978 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.653 HD23 ' CB ' ' A' ' 40' ' ' ASP . 5.7 mp -72.04 152.37 42.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.438 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 0.5 OUTLIER 47.04 78.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 108.305 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.492 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 2.2 p-10 -139.91 -62.52 0.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.78 -35.1 0.08 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.422 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 8.1 m-70 -116.79 121.26 33.1 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 109.591 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 112.63 3.6 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.472 1.775 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.22 59.88 1.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.29 -161.49 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 108.308 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.53 -45.64 3.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -132.33 -56.2 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 148.17 46.65 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.9 ptm85 -114.6 -12.12 12.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 0.772 . . . . 0.0 110.267 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.653 ' CB ' HD23 ' A' ' 28' ' ' LEU . 2.3 p-10 -46.02 -27.46 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.438 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 5.2 pt-20 -135.39 36.37 2.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 10.1 t90 -52.3 -89.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 108.008 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.33 52.2 3.38 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.79 -4.55 11.6 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.84 89.8 0.31 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.3 t -123.97 142.12 51.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.758 . . . . 0.0 110.391 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.98 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.95 -46.3 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 109.972 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.87 -67.85 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 110.004 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -147.31 65.81 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.319 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.6 t 178.93 75.26 0.15 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 108.298 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 173.26 14.82 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.496 1.788 . . . . 0.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 131.05 13.99 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.455 1.766 . . . . 0.0 111.043 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.592 ' O ' ' CD1' ' A' ' 23' ' ' TYR . . . 179.03 80.35 0.06 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.64 31.28 5.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.654 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -63.53 -156.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.87 18.01 17.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.654 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 7.7 t 75.38 51.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 108.255 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.1 p -137.66 8.8 2.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.628 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.3 pt-20 176.24 113.43 0.12 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.509 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.97 112.2 3.5 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.504 1.791 . . . . 0.0 110.99 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.47 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.2 Cg_endo -75.05 -66.23 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.488 1.783 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.469 ' O ' ' NE2' ' A' ' 25' ' ' GLN . . . -140.93 87.55 0.19 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.445 1.091 . . . . 0.0 111.016 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -42.41 131.18 3.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.493 ' N ' HE21 ' A' ' 25' ' ' GLN . 0.1 OUTLIER 178.68 86.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.611 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.94 -10.66 20.86 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.122 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -63.96 -11.58 29.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 0.79 . . . . 0.0 110.258 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.5 t -144.01 -74.34 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 108.295 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.592 ' CD1' ' O ' ' A' ' 8' ' ' GLY . 21.9 m-85 -89.63 144.91 32.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -74.93 8.41 2.4 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.523 1.801 . . . . 0.0 110.969 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.561 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -60.28 -10.22 4.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -60.78 -24.0 65.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.298 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 49.8 m95 -65.54 -21.8 66.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 107.974 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.694 HD23 ' CB ' ' A' ' 40' ' ' ASP . 5.5 mp -75.96 151.82 37.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.258 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 49.5 75.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 108.305 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 2.1 p-10 -137.49 -62.42 0.61 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.406 ' C ' ' OE2' ' A' ' 41' ' ' GLU . . . 178.59 -35.87 0.08 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.422 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -120.52 122.76 28.46 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 109.605 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.421 ' HB2' ' CA ' ' A' ' 38' ' ' GLY . 18.3 Cg_endo -74.98 126.7 10.15 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -139.84 49.91 1.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.8 OUTLIER -116.48 -168.25 1.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 108.259 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 35' ' ' CYS . 27.0 t70 -38.15 -51.16 1.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -124.75 -56.96 1.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.421 ' CA ' ' HB2' ' A' ' 33' ' ' PRO . . . 146.16 51.5 0.03 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -114.87 1.76 14.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.694 ' CB ' HD23 ' A' ' 28' ' ' LEU . 1.5 p-10 -64.31 -12.82 45.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.422 ' OE2' ' C ' ' A' ' 32' ' ' HIS . 6.2 pt-20 -147.37 24.42 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -51.98 -77.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 108.043 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.25 45.84 2.89 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.476 1.11 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -118.26 -3.18 11.04 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.33 80.26 0.4 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.5 t -103.69 133.54 48.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 110.364 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.005 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 174.93 -53.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.753 . . . . 0.0 110.049 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.11 86.89 1.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.993 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -158.23 166.91 31.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.423 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 42.1 t 179.18 75.87 0.16 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 108.316 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.73 12.28 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.466 1.771 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 126.14 9.74 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.482 1.78 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.587 ' O ' ' CD2' ' A' ' 23' ' ' TYR . . . 179.87 80.72 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.485 ' CG ' ' OH ' ' A' ' 23' ' ' TYR . 2.1 tt0 -127.18 31.51 5.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 110.291 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.658 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -64.03 -156.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 111.053 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -113.56 17.06 18.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.34 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.658 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 0.5 OUTLIER 76.62 51.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 108.317 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.3 p -137.49 8.62 2.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.977 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.627 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.3 pt-20 176.15 113.39 0.12 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.346 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.548 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.03 111.9 3.43 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.799 . . . . 0.0 110.966 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.482 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.2 Cg_endo -75.02 -64.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.521 1.8 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.57 92.93 0.18 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.428 ' HA ' ' CG ' ' A' ' 25' ' ' GLN . . . -49.09 132.11 19.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.776 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 178.37 85.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.58 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -57.75 -12.87 11.16 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.457 1.098 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER -54.42 -19.78 6.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 0.755 . . . . 0.0 110.293 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.423 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 26.6 t -136.62 -79.44 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 108.318 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.587 ' CD2' ' O ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -89.64 151.76 46.2 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.46 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 18.1 Cg_endo -75.02 13.16 1.07 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.539 1.81 . . . . 0.0 110.957 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.56 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -56.33 -14.95 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.321 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.83 -28.34 68.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 58.7 m95 -58.62 -25.4 62.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 107.997 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.786 HD23 ' CB ' ' A' ' 40' ' ' ASP . 5.0 mp -70.65 147.75 48.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.453 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 0.7 OUTLIER 46.85 73.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 108.301 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.55 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.2 OUTLIER -133.11 -53.02 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.55 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 177.99 -44.74 0.09 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.437 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.2 OUTLIER -117.1 128.65 25.88 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 109.621 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.463 ' HB2' ' CA ' ' A' ' 38' ' ' GLY . 18.4 Cg_endo -75.0 110.1 3.05 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.522 1.801 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -129.73 55.86 1.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -119.94 -165.12 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 108.332 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 35' ' ' CYS . 20.2 t0 -39.48 -50.17 2.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.28 -57.71 1.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.463 ' CA ' ' HB2' ' A' ' 33' ' ' PRO . . . 148.31 44.45 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.453 ' CZ ' ' HB2' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -109.14 -14.85 14.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 0.737 . . . . 0.0 110.344 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.786 ' CB ' HD23 ' A' ' 28' ' ' LEU . 5.0 p-10 -46.06 -26.39 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.453 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 8.1 pt-20 -138.41 34.35 2.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.533 ' CG ' ' N ' ' A' ' 43' ' ' GLY . 2.0 t-105 -50.75 -86.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 108.039 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.533 ' N ' ' CG ' ' A' ' 42' ' ' TRP . . . -77.4 50.86 3.23 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.501 1.125 . . . . 0.0 111.001 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.83 -7.78 12.62 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.97 106.27 1.26 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.512 1.132 . . . . 0.0 111.036 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.9 p -66.21 128.14 34.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 0.779 . . . . 0.0 110.394 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 75.5 m . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 m -41.74 162.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.9 m 56.59 107.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.962 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.1 161.7 2.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.4 t 179.61 74.65 0.16 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 108.283 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 174.11 13.35 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.462 1.77 . . . . 0.0 111.002 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 131.28 14.17 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.555 1.818 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.487 ' CA ' ' HG2' ' A' ' 16' ' ' PRO . . . 178.59 82.06 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.475 ' NE2' ' OH ' ' A' ' 23' ' ' TYR . 6.5 tt0 -126.9 33.96 4.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 110.26 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.664 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -66.84 -158.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.08 17.6 18.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.664 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 2.0 t 76.87 51.48 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 108.351 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 p -136.9 8.71 3.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.997 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.628 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 12.1 pt-20 175.92 113.77 0.12 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.546 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -75.01 110.53 3.14 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.511 1.795 . . . . 0.0 111.021 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.493 ' HD3' ' O ' ' A' ' 14' ' ' GLU . 18.3 Cg_endo -74.97 -65.29 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -140.58 85.53 0.21 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.125 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.432 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -55.59 132.74 49.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.42 ' C ' ' N ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER 179.01 84.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.122 . . . . 0.0 109.568 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -43.32 -24.12 0.33 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.136 . . . . 0.0 111.045 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.42 ' N ' ' C ' ' A' ' 19' ' ' HIS . 3.0 tp10 -40.96 -29.2 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 0.761 . . . . 0.0 110.29 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.415 ' N ' ' C ' ' A' ' 20' ' ' GLY . 7.3 t -136.24 -74.19 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 108.288 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.475 ' OH ' ' NE2' ' A' ' 9' ' ' GLN . 15.5 m-85 -88.76 148.87 42.61 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 111.043 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.456 ' C ' ' N ' ' A' ' 26' ' ' ASP . 18.1 Cg_endo -75.03 9.59 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.45 ' OE1' ' CB ' ' A' ' 23' ' ' TYR . 8.7 mt-30 -40.74 -26.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.456 ' N ' ' C ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -44.95 -47.08 11.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.401 ' C ' ' O ' ' A' ' 26' ' ' ASP . 47.6 m95 -41.45 -44.31 2.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 107.979 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.774 HD23 ' CB ' ' A' ' 40' ' ' ASP . 4.3 mp -61.57 147.57 45.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.465 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 35.9 t 45.31 75.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 108.291 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.519 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -135.6 -52.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.519 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 178.12 -45.71 0.09 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.554 1.159 . . . . 0.0 110.975 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.42 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -119.14 129.67 25.27 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 109.6 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.72 4.67 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.528 1.804 . . . . 0.0 110.994 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.67 57.6 1.8 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -116.68 -164.09 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 108.304 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 35' ' ' CYS . 19.6 t0 -39.29 -48.48 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -129.87 -53.83 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 147.63 70.22 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -143.13 15.09 1.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.774 ' CB ' HD23 ' A' ' 28' ' ' LEU . 1.9 p-10 -78.76 -1.55 35.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.465 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 10.3 pt-20 -155.72 25.6 0.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.601 ' CG ' ' N ' ' A' ' 43' ' ' GLY . 9.6 p-90 -60.7 -59.11 5.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 108.008 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.601 ' N ' ' CG ' ' A' ' 42' ' ' TRP . . . -78.86 5.12 58.99 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.465 1.103 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.61 -11.88 13.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -67.56 -99.31 0.03 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.1 p 38.95 79.19 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.756 . . . . 0.0 110.424 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 60.2 m . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 110.019 -179.941 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 p -91.28 110.9 22.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.584 0.814 . . . . 0.0 109.948 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 172.91 134.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.04 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.6 ptt-85 -84.04 48.41 1.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.0 t 178.51 74.76 0.13 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 108.29 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 174.62 12.45 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.493 1.786 . . . . 0.0 111.038 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 141.93 27.19 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.505 1.792 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.497 ' HA2' ' CG ' ' A' ' 16' ' ' PRO . . . 178.89 81.26 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.468 1.105 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -123.89 28.87 6.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 110.286 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.721 ' HE2' HD22 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -64.6 -154.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.63 17.28 17.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.628 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 13.4 t 75.38 53.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 108.295 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.8 p -140.75 9.97 2.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.645 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 7.9 pt-20 176.14 113.26 0.12 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.505 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.95 110.65 3.16 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.512 1.796 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.497 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.0 Cg_endo -75.07 -52.48 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.496 1.788 . . . . 0.0 110.959 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . -138.43 59.55 0.6 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.527 1.142 . . . . 0.0 110.957 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.648 ' HB1' ' HA ' ' A' ' 26' ' ' ASP . . . -38.69 118.47 0.75 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.463 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER 179.49 86.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.597 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.448 ' C ' ' N ' ' A' ' 22' ' ' CYS . . . -40.13 -25.49 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 19' ' ' HIS . 2.8 tp10 -39.71 -28.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.761 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.448 ' N ' ' C ' ' A' ' 20' ' ' GLY . 13.4 t -137.75 -68.68 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 108.283 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.461 ' CE1' ' O ' ' A' ' 8' ' ' GLY . 14.1 m-85 -95.1 137.99 22.09 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.173 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -74.99 5.12 4.17 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.512 1.796 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.55 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -55.66 -14.07 2.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.648 ' HA ' ' HB1' ' A' ' 18' ' ' ALA . 1.0 OUTLIER -52.66 -33.46 47.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -54.64 -36.71 64.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 107.951 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.721 HD22 ' HE2' ' A' ' 10' ' ' PHE . 5.3 mp -66.39 151.31 47.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 48.76 79.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 108.283 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.468 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 3.6 p-10 -142.7 -63.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 177.57 -34.41 0.08 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.455 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -119.52 125.89 27.26 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.473 0.749 . . . . 0.0 109.624 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.416 ' HB2' ' CA ' ' A' ' 38' ' ' GLY . 18.2 Cg_endo -75.03 131.49 14.32 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.518 1.799 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -149.8 39.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.57 ' SG ' HD21 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -108.22 -166.37 1.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 108.312 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 35' ' ' CYS . 0.2 OUTLIER -37.53 -53.74 1.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -119.42 -61.3 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.416 ' CA ' ' HB2' ' A' ' 33' ' ' PRO . . . 150.57 44.33 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 111.035 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -112.42 -5.22 14.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 0.0 110.333 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.563 ' CB ' HD23 ' A' ' 28' ' ' LEU . 45.4 p-10 -46.36 -27.97 1.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.455 ' OE2' ' C ' ' A' ' 32' ' ' HIS . 3.9 pt-20 -129.15 37.82 4.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -54.99 -93.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 108.031 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.73 52.15 3.15 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.518 1.136 . . . . 0.0 111.047 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -116.69 -4.48 11.66 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -72.42 115.92 5.57 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 0.0 110.966 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.42 ' O ' HG23 ' A' ' 46' ' ' THR . 5.2 t -138.08 57.84 1.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 0.76 . . . . 0.0 110.423 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.35 165.19 2.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.783 . . . . 0.0 110.02 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.47 -59.75 2.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.02 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.407 ' O ' ' CG ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -148.12 51.79 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 110.29 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.1 t 179.64 72.8 0.16 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 108.308 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.419 ' HG2' ' O ' ' A' ' 17' ' ' GLY . 18.3 Cg_endo -74.95 174.59 12.51 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.467 1.772 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.4 35.22 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.505 1.792 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.5 ' HA2' ' CG ' ' A' ' 16' ' ' PRO . . . 178.59 81.05 0.06 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.8 pm0 -125.95 29.58 5.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.666 ' CE1' ' NE2' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -65.05 -155.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.997 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.45 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -114.9 21.67 14.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 110.296 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.656 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 43.5 t 70.15 57.78 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 108.334 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.8 p -147.03 10.69 1.02 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.614 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 7.9 pt-20 175.2 111.34 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.459 ' HA ' ' OE1' ' A' ' 25' ' ' GLN . 18.1 Cg_endo -75.06 113.14 3.72 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.784 . . . . 0.0 110.959 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.5 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.5 Cg_endo -74.97 -57.42 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 0.0 111.042 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.419 ' O ' ' HG2' ' A' ' 6' ' ' PRO . . . -134.2 59.45 0.67 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.539 1.149 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -42.76 120.26 1.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER 179.33 90.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.591 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 22' ' ' CYS . . . -40.45 -25.34 0.09 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 19' ' ' HIS . 1.2 tt0 -39.49 -29.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 0.787 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 20' ' ' GLY . 13.5 t -136.36 -72.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.289 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.44 ' C ' ' H ' ' A' ' 25' ' ' GLN . 75.5 m-85 -93.19 147.27 33.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -74.98 13.09 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.428 1.751 . . . . 0.0 110.986 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.666 ' NE2' ' CE1' ' A' ' 10' ' ' PHE . 12.7 mm-40 -51.76 -18.43 1.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.283 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' A' ' 26' ' ' ASP . 1.1 t0 -51.42 -43.9 62.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 37.9 m95 -44.83 -36.96 3.52 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.912 HD23 ' CB ' ' A' ' 40' ' ' ASP . 3.6 mp -76.99 157.54 31.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 46.66 75.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 108.289 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.487 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 1.3 p-10 -137.06 -60.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.419 ' C ' ' OE2' ' A' ' 41' ' ' GLU . . . 179.38 -37.55 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 110.971 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.432 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 1.1 m80 -121.77 131.76 24.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 109.575 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 147.95 34.7 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.5 1.789 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.67 45.44 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.441 ' SG ' ' O ' ' A' ' 12' ' ' CYS . 1.1 m -119.84 -169.45 1.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 108.288 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 35' ' ' CYS . 21.5 t70 -37.82 -58.2 0.94 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.19 -58.58 2.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 146.48 43.87 0.04 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.456 1.098 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.1 ptt180 -103.45 -9.25 19.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.752 . . . . 0.0 110.3 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.912 ' CB ' HD23 ' A' ' 28' ' ' LEU . 21.8 p-10 -45.9 -27.36 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.432 ' OE2' ' C ' ' A' ' 32' ' ' HIS . 5.3 pt-20 -138.51 37.27 2.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 63.7 t-105 -51.37 -87.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 107.997 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.24 51.23 3.23 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.524 1.14 . . . . 0.0 111.065 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -117.57 -36.29 3.74 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.08 127.31 15.89 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.4 p -80.38 169.57 17.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.747 . . . . 0.0 110.41 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.7 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.988 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.7 m -98.97 -53.74 3.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 0.752 . . . . 0.0 109.965 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.73 -71.68 0.52 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.98 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -176.44 67.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.422 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 27.0 t 178.49 76.58 0.14 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 108.258 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.66 15.93 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 140.63 25.58 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.475 1.776 . . . . 0.0 110.975 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.616 ' O ' ' CE2' ' A' ' 23' ' ' TYR . . . 179.36 81.06 0.06 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -128.27 27.84 5.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 0.795 . . . . 0.0 110.258 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.653 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -64.36 -158.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.75 18.91 17.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.653 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 6.7 t 74.52 52.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 108.234 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.434 ' O ' ' NE ' ' A' ' 39' ' ' ARG . 20.0 p -137.83 8.59 2.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.618 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.1 pt-20 176.3 113.68 0.12 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.551 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.0 111.94 3.44 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.504 1.791 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.483 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.3 Cg_endo -74.98 -61.37 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -139.92 94.87 0.2 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.481 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -64.87 122.88 18.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 0.722 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.425 ' C ' ' N ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER 179.25 85.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.613 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -44.47 -22.83 0.43 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.132 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.425 ' N ' ' C ' ' A' ' 19' ' ' HIS . 2.8 tp10 -40.75 -30.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 110.305 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.422 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 37.2 t -128.41 -81.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 108.297 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.616 ' CE2' ' O ' ' A' ' 8' ' ' GLY . 0.3 OUTLIER -90.38 154.2 46.49 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.452 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 18.4 Cg_endo -74.92 32.47 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.472 1.775 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.505 ' H ' ' C ' ' A' ' 23' ' ' TYR . 17.1 mt-30 -59.84 -20.62 58.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.85 -38.98 73.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 50.7 m95 -48.01 -30.86 4.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 108.031 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.828 HD23 ' CB ' ' A' ' 40' ' ' ASP . 4.6 mp -77.14 156.65 31.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 44.2 t 42.45 78.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 108.245 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.482 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 1.0 OUTLIER -137.39 -65.19 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 177.38 -33.68 0.08 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.413 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 1.6 t-80 -123.5 126.76 25.74 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.523 0.778 . . . . 0.0 109.596 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.471 ' N ' ' OE2' ' A' ' 41' ' ' GLU . 18.4 Cg_endo -74.98 132.88 15.96 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.536 1.809 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.6 29.82 4.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' A' ' 12' ' ' CYS . 18.0 m -102.6 -174.43 2.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 108.289 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' CYS . 28.3 t70 -39.68 -56.45 1.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -118.43 -47.67 2.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.604 ' O ' ' CZ3' ' A' ' 42' ' ' TRP . . . 134.43 76.54 0.09 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.434 ' NE ' ' O ' ' A' ' 13' ' ' SER . 5.1 ptm85 -132.54 7.06 4.13 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.529 0.782 . . . . 0.0 110.261 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.828 ' CB ' HD23 ' A' ' 28' ' ' LEU . 1.1 p-10 -76.85 -1.48 28.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.471 ' OE2' ' N ' ' A' ' 33' ' ' PRO . 4.0 pt-20 -144.68 16.96 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.296 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.604 ' CZ3' ' O ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -50.8 -79.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.68 50.24 3.22 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.464 1.103 . . . . 0.0 110.952 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 11.4 t -137.35 -47.55 0.57 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.79 102.33 0.05 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.553 1.158 . . . . 0.0 110.956 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 71.8 p -48.23 148.0 2.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 0.735 . . . . 0.0 110.425 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.6 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.062 179.975 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.69 -59.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 0.784 . . . . 0.0 109.967 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.5 t -176.09 93.77 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.057 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.14 174.86 14.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.8 t 179.97 69.93 0.16 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 108.255 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.401 ' HG2' ' O ' ' A' ' 17' ' ' GLY . 18.2 Cg_endo -75.04 174.17 13.26 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 147.18 33.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.481 1.779 . . . . 0.0 110.962 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.485 ' HA2' ' CG ' ' A' ' 16' ' ' PRO . . . 178.14 81.68 0.06 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.97 30.43 6.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.633 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -65.55 -156.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 111.009 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.445 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 2.4 ttm-85 -114.98 20.95 14.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.633 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 42.2 t 72.06 54.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 108.3 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.85 9.39 1.95 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.041 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.625 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 7.8 pt-20 175.68 112.33 0.11 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.477 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.05 111.71 3.39 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.509 1.794 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.485 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.2 Cg_endo -75.01 -56.7 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.478 1.778 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.401 ' O ' ' HG2' ' A' ' 6' ' ' PRO . . . -134.58 56.03 0.72 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.516 1.135 . . . . 0.0 111.045 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.519 ' O ' ' CG ' ' A' ' 19' ' ' HIS . . . -40.45 120.34 1.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 0.738 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.519 ' CG ' ' O ' ' A' ' 18' ' ' ALA . 2.2 m-70 179.09 89.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.601 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.437 ' C ' ' N ' ' A' ' 22' ' ' CYS . . . -38.98 -26.59 0.05 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 19' ' ' HIS . 2.1 tp10 -39.74 -28.98 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 0.759 . . . . 0.0 110.266 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.437 ' N ' ' C ' ' A' ' 20' ' ' GLY . 6.4 t -140.37 -62.05 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 108.328 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -101.64 142.85 25.43 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.439 ' C ' ' N ' ' A' ' 26' ' ' ASP . 18.3 Cg_endo -74.99 9.77 1.92 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.536 1.809 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.538 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 1.1 mt-30 -46.91 -20.61 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.439 ' N ' ' C ' ' A' ' 24' ' ' PRO . 0.2 OUTLIER -47.93 -44.86 30.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -44.78 -39.36 5.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 107.986 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.835 HD23 ' CB ' ' A' ' 40' ' ' ASP . 3.9 mp -77.17 159.11 29.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.421 ' HA ' ' HB3' ' A' ' 41' ' ' GLU . 0.5 OUTLIER 41.81 76.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 108.312 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.507 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.3 OUTLIER -137.48 -50.83 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.507 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 179.13 -47.18 0.09 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.105 . . . . 0.0 111.044 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.435 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -122.39 137.29 27.46 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.747 . . . . 0.0 109.628 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 149.15 36.37 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.463 1.77 . . . . 0.0 111.062 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -164.93 54.56 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.8 OUTLIER -122.47 -166.49 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 108.305 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.461 ' C ' ' O ' ' A' ' 35' ' ' CYS . 1.1 t70 -36.16 -54.81 0.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.78 -63.87 1.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.524 ' O ' ' CE3' ' A' ' 42' ' ' TRP . . . 153.54 43.41 0.02 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -111.05 -3.42 15.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.835 ' CB ' HD23 ' A' ' 28' ' ' LEU . 24.7 p-10 -47.2 -26.91 1.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.435 ' OE2' ' C ' ' A' ' 32' ' ' HIS . 5.3 pt-20 -140.74 42.64 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.524 ' CE3' ' O ' ' A' ' 38' ' ' GLY . 0.4 OUTLIER -55.88 -76.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 107.969 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.41 45.65 2.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.01 -29.16 7.1 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.0 110.98 0.74 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.467 HG23 ' N ' ' A' ' 47' ' ' SER . 2.9 t -141.25 -53.22 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 0.0 110.42 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.467 ' N ' HG23 ' A' ' 46' ' ' THR . 13.7 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.932 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.52 176.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 0.802 . . . . 0.0 109.997 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -79.67 -56.33 4.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.027 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.474 ' CB ' ' HG2' ' A' ' 21' ' ' GLU . 3.6 ptt180 176.77 43.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.1 t -179.71 74.24 0.18 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 108.294 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 172.9 15.47 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.526 1.803 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 110.17 3.07 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.53 1.805 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.457 ' CA ' ' CG ' ' A' ' 16' ' ' PRO . . . 179.84 80.34 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.444 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -130.13 147.11 51.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 0.803 . . . . 0.0 110.304 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.725 ' CE2' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -165.75 -157.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.534 ' O ' ' CB ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -116.0 10.7 15.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.268 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.632 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 2.7 t 90.1 55.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 108.329 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.2 p -140.42 6.87 2.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.001 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.654 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 8.2 pt-20 173.79 116.86 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.764 ' CB ' HD22 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.02 112.91 3.67 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.562 1.822 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.457 ' CG ' ' CA ' ' A' ' 8' ' ' GLY . 18.4 Cg_endo -74.99 -63.86 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.428 1.751 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -151.28 105.89 0.3 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.45 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -54.22 124.5 15.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 177.92 84.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.592 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -53.28 -16.68 4.94 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.134 . . . . 0.0 111.053 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.474 ' HG2' ' CB ' ' A' ' 4' ' ' ARG . 1.5 tp10 -40.89 -37.28 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 0.0 110.271 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.0 t -127.83 -76.45 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 108.313 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.483 ' C ' ' H ' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -88.48 151.41 48.25 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.429 ' HB2' ' CD1' ' A' ' 27' ' ' TRP . 18.4 Cg_endo -74.92 37.7 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.587 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 4.6 mt-30 -59.64 -23.28 62.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -64.12 -24.47 67.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.429 ' CD1' ' HB2' ' A' ' 24' ' ' PRO . 23.3 m95 -61.24 -32.62 72.42 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.944 HD23 ' CB ' ' A' ' 40' ' ' ASP . 2.7 mp -72.7 154.78 40.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.432 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 0.8 OUTLIER 39.95 81.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 108.321 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.425 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 3.1 p-10 -137.51 -57.41 0.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 179.47 -40.81 0.08 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 1.2 m170 -126.41 134.48 26.05 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.443 0.731 . . . . 0.0 109.546 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.423 ' HB2' ' CA ' ' A' ' 38' ' ' GLY . 18.3 Cg_endo -74.99 137.06 21.25 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.453 1.765 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.38 33.21 3.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.415 ' SG ' ' O ' ' A' ' 12' ' ' CYS . 24.0 m -107.79 -176.01 2.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 108.303 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -39.93 -55.94 1.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.4 -51.56 2.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.423 ' CA ' ' HB2' ' A' ' 33' ' ' PRO . . . 136.69 68.91 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.549 1.155 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -118.14 -7.95 10.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 110.262 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.944 ' CB ' HD23 ' A' ' 28' ' ' LEU . 2.6 p-10 -61.92 -13.62 26.76 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.432 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 7.3 pt-20 -151.64 34.72 0.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -50.39 -83.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 108.032 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.9 52.0 3.2 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -120.78 -39.61 2.72 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.87 -86.82 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.475 1.109 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 27.9 p 42.75 72.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 0.747 . . . . 0.0 110.367 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.986 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 m 63.48 156.62 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 0.752 . . . . 0.0 109.986 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.7 87.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.059 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.89 144.85 21.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.9 t 179.33 74.84 0.16 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 108.301 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.416 ' HG2' ' O ' ' A' ' 17' ' ' GLY . 18.5 Cg_endo -74.96 175.14 11.62 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.509 1.794 . . . . 0.0 111.062 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 135.75 19.49 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.498 1.788 . . . . 0.0 110.943 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.589 ' O ' ' CE2' ' A' ' 23' ' ' TYR . . . 179.22 80.76 0.06 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.48 1.113 . . . . 0.0 110.966 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -125.11 34.32 4.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 110.297 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.653 ' CD2' ' O ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -67.27 -154.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 111.015 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.446 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -115.56 20.13 14.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.639 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 42.9 t 72.59 54.66 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 108.333 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.5 p -141.71 9.35 1.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.986 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.653 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 10.5 pt-20 175.79 113.11 0.11 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.463 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.05 111.63 3.37 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.487 ' HG2' ' CA ' ' A' ' 8' ' ' GLY . 18.1 Cg_endo -75.03 -59.49 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 0.0 110.954 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.416 ' O ' ' HG2' ' A' ' 6' ' ' PRO . . . -137.83 64.44 0.56 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.442 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -41.69 126.93 3.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.756 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.461 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER 179.34 87.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.626 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -41.1 -24.62 0.1 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 110.961 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -39.78 -32.52 0.15 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 0.774 . . . . 0.0 110.286 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.9 t -132.77 -74.34 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 108.324 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.589 ' CE2' ' O ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -90.11 149.15 40.96 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.426 ' C ' ' N ' ' A' ' 26' ' ' ASP . 18.2 Cg_endo -75.02 11.74 1.38 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.504 1.792 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.577 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 7.7 mt-30 -44.12 -23.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.428 ' O ' ' O ' ' A' ' 28' ' ' LEU . 0.4 OUTLIER -49.91 -45.15 50.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.3 m0 -43.83 -37.23 2.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 108.05 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.845 HD23 ' CB ' ' A' ' 40' ' ' ASP . 3.7 mp -77.41 156.07 31.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.433 ' HA ' ' HB3' ' A' ' 41' ' ' GLU . 0.5 OUTLIER 44.65 77.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 108.295 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.492 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.7 OUTLIER -136.37 -51.55 0.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.492 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 179.1 -46.66 0.09 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.438 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -118.85 132.45 23.9 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 0.788 . . . . 0.0 109.585 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 135.3 18.84 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.515 1.797 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -157.02 70.37 0.62 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.442 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -133.34 -164.4 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 108.336 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 35' ' ' CYS . 27.9 t0 -37.31 -46.57 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.09 -63.39 1.01 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 155.16 42.87 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.409 ' C ' ' N ' ' A' ' 41' ' ' GLU . 13.1 ptm180 -111.64 -7.04 14.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.757 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.845 ' CB ' HD23 ' A' ' 28' ' ' LEU . 24.1 p-10 -45.92 -27.09 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.244 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.438 ' OE2' ' C ' ' A' ' 32' ' ' HIS . 6.0 pt-20 -143.55 44.5 1.51 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 110.309 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -53.65 -81.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 108.045 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.07 48.77 3.39 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.405 ' CB ' ' HB2' ' A' ' 41' ' ' GLU . 0.5 OUTLIER -112.76 -27.96 7.95 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.7 152.22 3.71 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.144 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.8 p -114.78 150.37 35.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 0.728 . . . . 0.0 110.408 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.01 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.59 15.04 1.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 0.799 . . . . 0.0 109.999 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m 64.33 88.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.012 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.453 ' N ' ' OE2' ' A' ' 21' ' ' GLU . 1.6 mmt-85 -135.71 -177.4 4.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 37.3 t 178.83 74.19 0.14 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 108.295 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 18.3 Cg_endo -75.02 156.36 42.9 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.447 1.762 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 6' ' ' PRO . 18.3 Cg_endo -74.98 118.57 5.32 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.461 1.769 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.413 ' HA3' ' OE1' ' A' ' 25' ' ' GLN . . . 178.01 83.18 0.06 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.465 1.103 . . . . 0.0 110.963 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.566 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 4.7 pm0 -121.94 152.21 39.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 110.295 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.764 ' CZ ' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -166.03 -158.16 0.33 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.464 ' O ' ' CB ' ' A' ' 12' ' ' CYS . 3.1 ttt180 -113.96 12.17 17.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.662 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 5.2 t 85.58 56.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 108.246 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.4 p -142.61 7.82 1.71 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.655 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 12.8 pt-20 174.15 116.99 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.801 ' CB ' HD22 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.05 112.99 3.69 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.497 1.788 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -70.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 0.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -141.85 101.16 0.27 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.63 126.15 9.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 0.734 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 178.06 85.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.575 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -68.25 -1.57 21.46 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.453 ' OE2' ' N ' ' A' ' 4' ' ' ARG . 0.5 OUTLIER -70.46 -11.04 60.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 110.335 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.0 t -141.7 -78.9 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.133 . . . . 0.0 108.298 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.566 ' CE1' ' HB3' ' A' ' 9' ' ' GLN . 23.9 m-85 -88.19 167.0 20.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.403 ' O ' ' N ' ' A' ' 27' ' ' TRP . 18.4 Cg_endo -74.98 12.64 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.504 1.792 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.602 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 12.7 mt-30 -45.14 -37.42 4.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -53.07 -42.37 65.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 109.322 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.403 ' N ' ' O ' ' A' ' 24' ' ' PRO . 41.7 m95 -42.16 -44.57 3.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.164 . . . . 0.0 108.002 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.969 HD23 ' CB ' ' A' ' 40' ' ' ASP . 2.2 mp -64.6 152.8 41.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 28' ' ' LEU . 53.5 t 40.71 81.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 108.301 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.457 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.4 OUTLIER -136.57 -48.07 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.457 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 179.55 -49.7 0.09 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.506 1.128 . . . . 0.0 111.042 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.402 ' O ' ' CD ' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -127.01 153.44 76.48 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 0.762 . . . . 0.0 109.617 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 161.79 38.29 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.473 1.775 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -167.33 32.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 36' ' ' ASP . 5.3 m -113.98 -172.51 2.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 108.272 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 35' ' ' CYS . 0.5 OUTLIER -39.02 -57.93 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.01 -50.45 2.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.17 55.4 0.1 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.556 1.16 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -109.03 -15.07 14.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 0.0 110.328 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.969 ' CB ' HD23 ' A' ' 28' ' ' LEU . 4.9 p-10 -52.63 -21.4 3.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.275 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.936 ' OE2' 'CA ' ' A' ' 48' ' ' ' CA' . 0.8 OUTLIER -134.89 31.01 3.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 58.3 t-105 -51.6 -88.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 108.019 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.33 55.6 2.82 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 49.1 t -150.02 -47.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -53.02 118.24 7.87 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.2 p -68.39 -29.34 68.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 0.729 . . . . 0.0 110.403 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.5 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.013 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ' CA' . . . . . 0.936 'CA ' ' OE2' ' A' ' 41' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -106.11 -41.83 5.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 0.722 . . . . 0.0 109.975 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -133.3 -93.7 0.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.162 . . . . 0.0 109.978 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.464 ' HB3' ' CG ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -150.59 55.36 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.343 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.43 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 40.7 t 178.46 77.85 0.15 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 108.28 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 174.89 12.02 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.481 1.78 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 124.72 8.85 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.434 1.755 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.593 ' O ' ' CD2' ' A' ' 23' ' ' TYR . . . -177.09 79.5 0.07 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.543 ' HG3' ' CE1' ' A' ' 23' ' ' TYR . 1.4 tt0 -127.66 33.46 4.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 0.76 . . . . 0.0 110.249 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.693 ' HZ ' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -66.17 -158.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.51 17.49 19.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.102 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.646 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 2.8 t 76.71 52.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 108.275 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.5 p -138.64 9.0 2.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.951 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.622 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.2 pt-20 176.2 113.41 0.12 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.309 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.627 ' CB ' HD22 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -75.0 111.16 3.26 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.492 1.785 . . . . 0.0 111.048 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.474 ' HD3' ' O ' ' A' ' 14' ' ' GLU . 18.2 Cg_endo -75.02 -62.34 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.535 1.808 . . . . 0.0 110.985 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -141.91 96.21 0.2 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.476 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -57.58 125.75 24.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 0.772 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 178.43 85.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.627 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.446 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -50.08 -18.99 2.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.464 ' CG ' ' HB3' ' A' ' 4' ' ' ARG . 2.4 tp10 -41.11 -37.46 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 110.312 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.43 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 38.1 t -123.02 -79.99 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 108.274 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CD2' ' O ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -89.31 155.42 49.0 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.57 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 18.2 Cg_endo -75.04 34.06 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.783 . . . . 0.0 110.98 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.505 ' H ' ' C ' ' A' ' 23' ' ' TYR . 8.2 mt-30 -58.5 -21.51 52.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.39 -41.2 93.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -45.27 -31.09 1.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 108.02 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.808 HD23 ' CB ' ' A' ' 40' ' ' ASP . 4.6 mp -77.51 151.69 34.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.459 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 47.4 t 43.32 73.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 108.33 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.53 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.3 OUTLIER -132.33 -53.04 0.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.53 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 177.17 -45.09 0.1 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.442 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 13.5 t60 -119.84 127.84 26.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 109.649 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.464 ' HB2' ' CA ' ' A' ' 38' ' ' GLY . 18.3 Cg_endo -74.99 114.46 4.03 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.463 1.77 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -127.27 54.31 1.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.7 OUTLIER -114.73 -167.8 1.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 108.301 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 35' ' ' CYS . 22.1 t70 -40.01 -51.39 2.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -124.36 -48.45 1.83 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.464 ' CA ' ' HB2' ' A' ' 33' ' ' PRO . . . 136.97 69.62 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.546 1.154 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -137.65 10.92 2.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.808 ' CB ' HD23 ' A' ' 28' ' ' LEU . 2.0 p-10 -75.72 -2.32 29.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.459 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 7.8 pt-20 -154.67 26.14 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -50.28 -80.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 108.001 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.99 46.64 2.98 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 36.7 t -123.02 -42.37 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.04 -65.33 2.53 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 61.6 p 40.54 74.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.773 . . . . 0.0 110.397 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.973 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -42.87 164.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.786 . . . . 0.0 110.04 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -48.93 -26.72 2.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.977 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -116.38 68.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.435 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 26.0 t 178.41 75.96 0.14 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 108.361 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 171.62 17.96 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.471 1.774 . . . . 0.0 110.974 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 141.66 26.72 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.618 ' O ' ' CE2' ' A' ' 23' ' ' TYR . . . 178.68 82.11 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.69 31.05 5.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.654 ' HZ ' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -65.85 -158.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 111.023 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.66 18.62 17.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.642 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 4.9 t 75.97 52.56 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 108.314 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.4 p -137.81 8.44 2.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.996 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.618 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.7 pt-20 175.92 113.79 0.12 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 110.339 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.587 ' CB ' HD22 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.95 110.98 3.22 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.463 1.77 . . . . 0.0 110.977 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.483 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.4 Cg_endo -74.97 -60.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.524 1.802 . . . . 0.0 111.027 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -139.14 94.44 0.2 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.117 . . . . 0.0 110.944 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.484 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -68.66 122.17 17.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 0.732 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 178.81 86.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.603 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.476 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -41.83 -23.96 0.15 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.461 1.101 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 19' ' ' HIS . 4.0 tp10 -40.75 -29.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 0.786 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.435 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 44.5 t -130.02 -82.3 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 108.303 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.618 ' CE2' ' O ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -88.71 159.15 46.91 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 111.008 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.562 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -74.99 13.39 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.461 1.769 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.484 ' CB ' ' HA ' ' A' ' 18' ' ' ALA . 15.6 mt-30 -41.75 -26.96 0.09 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 110.261 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -47.26 -47.4 24.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.427 ' C ' ' O ' ' A' ' 26' ' ' ASP . 16.4 m0 -40.49 -44.56 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 107.968 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.81 HD23 ' CB ' ' A' ' 40' ' ' ASP . 4.3 mp -63.41 146.91 52.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.45 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 52.5 t 43.86 75.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 108.303 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.531 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -134.56 -52.33 0.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.531 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 178.21 -46.15 0.09 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.532 1.145 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.437 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -124.44 138.14 30.51 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 0.744 . . . . 0.0 109.587 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.43 ' N ' ' OE2' ' A' ' 41' ' ' GLU . 18.2 Cg_endo -75.04 145.03 30.82 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.781 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.74 26.76 1.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.42 ' SG ' ' O ' ' A' ' 12' ' ' CYS . 9.6 m -98.23 -173.26 2.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 108.274 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -39.55 -51.96 2.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.9 -51.9 2.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.414 ' CA ' ' HB2' ' A' ' 33' ' ' PRO . . . 138.88 74.22 0.05 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -132.1 7.38 4.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.581 0.813 . . . . 0.0 110.286 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.81 ' CB ' HD23 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -76.07 -1.98 28.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.45 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 8.3 pt-20 -151.7 25.05 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.497 ' CG ' ' N ' ' A' ' 43' ' ' GLY . 3.4 t90 -50.33 -83.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.497 ' N ' ' CG ' ' A' ' 42' ' ' TRP . . . -78.08 48.5 3.05 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 18.8 t -122.59 -42.48 2.32 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.03 101.27 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.0 t -115.21 142.06 47.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 0.745 . . . . 0.0 110.41 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.8 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.32 13.42 5.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 0.75 . . . . 0.0 110.011 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.75 -59.81 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.969 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.05 107.06 17.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.412 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 14.6 t 178.79 76.6 0.15 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 108.259 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.479 ' CG ' ' HB2' ' A' ' 19' ' ' HIS . 18.2 Cg_endo -75.02 174.94 11.93 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.518 1.799 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.435 ' O ' ' HG2' ' A' ' 16' ' ' PRO . 18.3 Cg_endo -75.01 151.64 39.73 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.782 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 176.59 79.52 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.483 1.115 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -132.24 21.03 4.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 0.796 . . . . 0.0 110.334 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.66 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -67.44 -156.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.417 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -115.32 19.31 15.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.66 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 34.9 t 73.52 55.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 108.297 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.7 p -144.57 9.23 1.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.007 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.533 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 7.7 pt-20 174.39 108.94 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.476 ' HG3' ' HB3' ' A' ' 28' ' ' LEU . 18.5 Cg_endo -74.98 111.69 3.39 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.441 ' HD3' ' O ' ' A' ' 14' ' ' GLU . 18.4 Cg_endo -74.96 -42.87 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.535 1.808 . . . . 0.0 111.051 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -158.27 99.0 0.18 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.122 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.631 ' HB1' ' HA ' ' A' ' 26' ' ' ASP . . . -71.69 129.43 38.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 0.746 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.479 ' HB2' ' CG ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER 179.16 86.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.613 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -48.7 -20.65 1.82 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -48.41 -23.32 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 0.79 . . . . 0.0 110.289 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.412 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 10.2 t -137.17 -76.46 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 108.299 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.443 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 15.4 m-85 -92.76 157.11 40.2 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.42 ' C ' ' N ' ' A' ' 26' ' ' ASP . 18.2 Cg_endo -75.04 7.6 2.81 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.496 1.787 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.559 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 22.4 mm-40 -45.76 -23.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.631 ' HA ' ' HB1' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -55.69 -46.02 77.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.261 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' ASP . 21.5 m95 -41.07 -37.42 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 108.008 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.966 HD23 ' CB ' ' A' ' 40' ' ' ASP . 2.5 mp -77.97 149.97 34.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.408 ' HA ' ' HB3' ' A' ' 41' ' ' GLU . 0.5 OUTLIER 52.32 71.32 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 108.315 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.531 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.3 OUTLIER -134.15 -52.16 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.531 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 178.71 -45.89 0.09 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.514 1.134 . . . . 0.0 111.044 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.447 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -119.73 135.08 23.97 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.513 0.772 . . . . 0.0 109.584 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 151.23 39.12 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.523 1.801 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -159.12 47.71 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.425 ' SG ' ' O ' ' A' ' 12' ' ' CYS . 0.8 OUTLIER -120.13 -169.15 1.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 108.284 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 35' ' ' CYS . 2.0 t70 -38.86 -56.83 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -114.72 -60.64 1.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 148.35 43.67 0.03 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -102.43 -10.96 18.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.966 ' CB ' HD23 ' A' ' 28' ' ' LEU . 19.9 p-10 -45.79 -27.36 0.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.447 ' OE2' ' C ' ' A' ' 32' ' ' HIS . 7.1 pt-20 -140.33 38.26 1.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 61.6 t-105 -50.89 -84.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 107.957 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.78 48.32 3.23 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -115.89 -6.19 12.04 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.54 96.14 0.14 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.3 t -126.44 142.18 51.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 0.777 . . . . 0.0 110.4 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.52 -73.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 109.988 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.1 m -71.79 75.86 0.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.982 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -93.75 154.45 17.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.415 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 44.4 t 179.2 76.25 0.16 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 108.328 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 174.27 13.08 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.492 1.785 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 127.01 10.37 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.505 1.792 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.495 ' CA ' ' HG2' ' A' ' 16' ' ' PRO . . . 178.3 81.67 0.06 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.447 1.092 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -126.07 35.9 4.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.757 . . . . 0.0 110.331 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.654 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -68.71 -158.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.447 1.092 . . . . 0.0 110.973 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.2 17.31 18.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.654 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 5.7 t 77.45 53.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 108.269 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.7 p -139.16 8.64 2.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.002 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.592 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 13.1 pt-20 175.3 112.32 0.1 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.559 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.0 110.98 3.22 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 111.0 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.495 ' HG2' ' CA ' ' A' ' 8' ' ' GLY . 18.4 Cg_endo -75.03 -62.92 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.462 1.769 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.72 89.37 0.17 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.01 134.34 13.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.787 . . . . 0.0 109.329 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.06 87.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.63 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.466 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -58.52 -11.76 11.17 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.528 1.142 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -55.89 -30.92 62.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 0.771 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 17.7 t -125.52 -77.4 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.122 . . . . 0.0 108.32 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.467 ' CD2' ' O ' ' A' ' 8' ' ' GLY . 7.4 m-85 -89.03 158.31 47.19 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 14.0 0.93 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.506 1.793 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.449 ' CD ' ' HA3' ' A' ' 8' ' ' GLY . 1.7 mt-30 -46.64 -25.57 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.333 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -52.81 -42.7 65.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 44.7 m95 -45.87 -34.21 3.69 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.823 HD23 ' CB ' ' A' ' 40' ' ' ASP . 4.7 mp -77.18 156.84 31.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 45.72 72.25 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 108.35 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.482 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.4 OUTLIER -131.93 -49.3 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.482 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 179.14 -49.24 0.09 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -126.89 144.76 51.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 109.614 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.425 ' HA ' ' OE2' ' A' ' 41' ' ' GLU . 18.3 Cg_endo -75.05 154.89 42.59 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.453 1.765 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -168.96 33.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -94.13 -164.87 1.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 108.293 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' CYS . 0.3 OUTLIER -39.59 -51.4 2.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -116.44 -61.9 1.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 150.77 60.6 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -134.96 18.75 3.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 110.276 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.823 ' CB ' HD23 ' A' ' 28' ' ' LEU . 5.6 p-10 -80.53 2.24 26.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.443 ' OE2' ' OD2' ' A' ' 40' ' ' ASP . 0.1 OUTLIER -163.73 38.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 41.3 t-105 -51.53 -90.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 108.027 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.07 46.56 2.98 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.445 1.09 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 46' ' ' THR . 13.8 t -115.6 -34.58 4.82 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.0 92.36 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.101 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 44' ' ' CYS . 13.7 t -108.82 131.93 54.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 0.0 110.345 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.02 162.06 15.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 109.974 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.06 64.28 8.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.994 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? 39.59 48.76 1.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 23.1 t 179.31 74.14 0.15 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 108.293 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.419 ' HG2' ' O ' ' A' ' 17' ' ' GLY . 18.2 Cg_endo -75.01 174.82 12.13 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 141.39 26.65 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.515 1.797 . . . . 0.0 110.998 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.494 ' HA2' ' CG ' ' A' ' 16' ' ' PRO . . . 178.91 81.05 0.06 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.138 . . . . 0.0 111.022 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -123.29 27.34 7.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 0.783 . . . . 0.0 110.263 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.715 ' HE2' HD22 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -62.98 -154.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.963 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.94 18.71 16.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.618 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 19.3 t 73.88 53.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 108.312 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.9 t -140.4 9.72 2.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.992 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.653 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.5 pt-20 176.33 113.53 0.12 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.269 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.497 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.06 110.48 3.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.494 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.3 Cg_endo -74.97 -52.3 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.457 1.767 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.448 ' O ' ' NE2' ' A' ' 25' ' ' GLN . . . -138.59 59.51 0.6 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.12 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.566 ' HB1' ' HA ' ' A' ' 26' ' ' ASP . . . -38.52 118.73 0.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 0.765 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.472 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER 179.48 86.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.636 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 22' ' ' CYS . . . -40.26 -25.34 0.08 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 19' ' ' HIS . 3.0 tp10 -39.48 -28.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 0.733 . . . . 0.0 110.331 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' GLY . 11.4 t -138.35 -71.48 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 108.326 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.417 ' HB2' ' NE2' ' A' ' 25' ' ' GLN . 9.7 m-85 -90.66 137.71 26.97 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 111.049 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.599 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 18.4 Cg_endo -74.95 3.5 5.54 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.447 1.762 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.529 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -53.23 -15.99 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.566 ' HA ' ' HB1' ' A' ' 18' ' ' ALA . 0.8 OUTLIER -47.87 -42.17 25.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 24' ' ' PRO . 51.3 m95 -45.84 -42.72 12.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 108.0 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.715 HD22 ' HE2' ' A' ' 10' ' ' PHE . 5.2 mp -61.77 149.36 40.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.47 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 0.8 OUTLIER 43.76 74.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 108.306 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.539 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -135.7 -52.6 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.539 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 178.31 -45.41 0.09 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.425 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.8 OUTLIER -115.4 135.14 22.54 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.538 0.787 . . . . 0.0 109.639 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 127.1 10.38 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.504 1.792 . . . . 0.0 110.97 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -155.82 69.83 0.68 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.6 ' SG ' HD21 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -134.79 -162.75 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 108.324 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 35' ' ' CYS . 12.5 t70 -37.62 -49.11 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -126.58 -59.45 1.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 151.74 44.0 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.563 1.164 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.578 ' HB3' ' CE3' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -116.63 -3.76 11.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.774 . . . . 0.0 110.332 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.582 ' CB ' HD23 ' A' ' 28' ' ' LEU . 37.7 p-10 -46.09 -28.91 1.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.47 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 5.2 pt-20 -138.06 39.9 2.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.25 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.578 ' CE3' ' HB3' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -51.61 -83.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 107.998 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.51 45.85 2.95 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.467 1.104 . . . . 0.0 111.041 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.65 -21.88 11.48 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.32 99.04 0.03 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.452 1.095 . . . . 0.0 111.022 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.2 t -124.36 138.87 54.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.787 . . . . 0.0 110.389 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.026 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 p -150.97 109.1 3.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 0.765 . . . . 0.0 109.953 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -143.94 58.78 1.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.013 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 42.1 58.25 2.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.436 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 4.0 t 178.72 76.1 0.15 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 108.308 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.461 ' CG ' ' HB2' ' A' ' 19' ' ' HIS . 18.4 Cg_endo -75.03 174.88 12.02 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.484 1.781 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 151.68 39.98 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.457 1.767 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.494 ' HA3' ' CG ' ' A' ' 25' ' ' GLN . . . 178.57 81.29 0.06 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -141.82 22.36 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 0.788 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.729 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -67.58 -159.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.578 ' O ' ' CB ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -106.07 -2.39 22.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.261 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.729 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 4.4 t 93.87 55.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 108.29 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.03 10.44 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.45 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.2 pt-20 175.2 108.38 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.748 ' HB3' HD22 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.98 112.98 3.69 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.506 1.793 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.412 ' HG2' ' HA2' ' A' ' 8' ' ' GLY . 18.4 Cg_endo -75.05 -39.32 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.511 1.795 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.439 ' O ' ' CB ' ' A' ' 25' ' ' GLN . . . -164.68 114.43 0.6 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.455 1.097 . . . . 0.0 111.044 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.457 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -84.57 126.44 33.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 0.79 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.461 ' HB2' ' CG ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER 179.38 83.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.611 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -46.21 -22.47 0.93 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -49.49 -22.7 1.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 0.812 . . . . 0.0 110.324 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.436 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 16.6 t -133.5 -78.58 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 108.284 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.462 ' CD2' ' N ' ' A' ' 8' ' ' GLY . 7.3 m-85 -94.64 158.76 34.86 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.405 ' C ' ' N ' ' A' ' 26' ' ' ASP . 18.2 Cg_endo -74.98 11.01 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.533 1.807 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.62 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 79.2 mm-40 -46.86 -23.61 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' A' ' 28' ' ' LEU . 23.0 t0 -52.36 -41.31 62.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 56.2 m95 -44.27 -41.44 5.93 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.94 HD23 ' CB ' ' A' ' 40' ' ' ASP . 3.5 mp -68.35 157.24 36.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER 41.2 80.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 108.307 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.465 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 3.1 p-10 -139.95 -59.2 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 179.16 -39.16 0.08 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 0.5 OUTLIER -127.17 136.12 28.41 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.585 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 32' ' ' HIS . 18.2 Cg_endo -75.04 151.94 39.94 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.532 1.806 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -149.3 31.24 0.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 36' ' ' ASP . 6.8 m -106.13 -173.18 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 108.281 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 35' ' ' CYS . 22.7 t70 -38.54 -55.04 1.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.59 -51.86 2.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 138.67 74.77 0.06 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -129.7 7.04 5.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 110.286 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.94 ' CB ' HD23 ' A' ' 28' ' ' LEU . 1.6 p-10 -75.83 -1.41 25.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.421 ' OE2' ' C ' ' A' ' 32' ' ' HIS . 7.3 pt-20 -157.26 25.35 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -50.37 -79.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 107.982 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.45 50.13 3.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.538 1.149 . . . . 0.0 110.966 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -123.35 -42.22 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.97 101.75 0.04 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.1 t -128.29 63.92 1.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 0.754 . . . . 0.0 110.406 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.0 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.005 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -169.53 -50.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 109.969 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 t -126.49 -46.28 1.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.968 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.441 ' CG ' ' O ' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -88.5 53.05 2.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.417 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 35.6 t 178.62 75.55 0.14 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 108.317 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 174.65 12.41 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.502 1.79 . . . . 0.0 110.973 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 144.73 30.62 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.594 ' O ' ' CE2' ' A' ' 23' ' ' TYR . . . 179.2 81.09 0.06 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -125.83 29.99 5.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.695 ' CD2' ' O ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -67.28 -154.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -112.48 16.27 19.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.238 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.622 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 12.1 t 74.64 55.7 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.133 . . . . 0.0 108.331 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.9 p -142.74 11.82 1.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.01 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.695 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 12.7 pt-20 176.39 114.97 0.13 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.467 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.98 110.47 3.12 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.492 ' HD3' ' O ' ' A' ' 14' ' ' GLU . 18.2 Cg_endo -75.08 -56.51 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.554 1.818 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -131.58 61.9 0.65 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.53 1.144 . . . . 0.0 111.026 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.473 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -42.18 115.87 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.462 ' C ' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 178.8 89.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.539 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -43.89 -21.12 0.18 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.462 ' N ' ' C ' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -39.23 -38.35 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 110.326 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 32.4 t -124.28 -77.22 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 108.295 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.594 ' CE2' ' O ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -89.31 151.7 46.76 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.426 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 18.2 Cg_endo -75.04 27.54 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.455 1.766 . . . . 0.0 110.989 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.513 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 7.6 mt-30 -54.67 -23.08 15.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -52.11 -44.78 64.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.092 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -43.91 -33.78 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 108.015 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.528 HD23 ' CB ' ' A' ' 40' ' ' ASP . 4.3 mp -77.86 150.69 34.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.24 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.421 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 14.6 t 47.82 76.46 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 108.331 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.511 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 1.1 p-10 -136.79 -66.82 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 176.71 -32.66 0.08 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.432 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -116.08 120.06 35.9 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.542 0.789 . . . . 0.0 109.642 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.436 ' N ' ' OE2' ' A' ' 41' ' ' GLU . 18.3 Cg_endo -74.99 125.3 9.24 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.514 1.797 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -145.2 31.35 1.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.6 OUTLIER -100.21 -166.63 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 108.306 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 35' ' ' CYS . 2.4 t0 -38.24 -54.74 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.354 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -119.41 -57.23 2.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 145.51 44.3 0.04 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -111.07 -7.9 14.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.528 ' CB ' HD23 ' A' ' 28' ' ' LEU . 45.1 p-10 -46.16 -29.08 1.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.452 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 3.2 pt-20 -123.19 27.76 7.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 40.7 t90 -51.08 -91.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 108.005 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.15 51.23 3.2 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 13.0 t -129.97 -45.73 1.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.93 143.92 10.66 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.125 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.3 p -102.52 109.93 21.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 0.727 . . . . 0.0 110.404 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.011 179.973 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.9 t . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.593 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 18.2 Cg_endo -74.98 173.96 13.6 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.477 1.777 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.414 ' O ' ' HG2' ' A' ' 16' ' ' PRO . 18.2 Cg_endo -74.95 154.1 42.49 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.478 1.778 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.466 ' HA3' ' CG ' ' A' ' 25' ' ' GLN . . . 177.32 78.07 0.05 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.19 20.32 3.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.716 ' CE2' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -65.11 -158.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.03 16.92 20.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.265 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.696 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 5.6 t 74.85 56.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 108.287 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.8 p -146.35 10.27 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.038 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.508 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.8 pt-20 174.1 109.55 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.272 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.794 ' CB ' HD22 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.04 112.0 3.46 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.477 1.777 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.436 ' HD3' ' O ' ' A' ' 14' ' ' GLU . 18.2 Cg_endo -75.02 -43.78 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.548 1.815 . . . . 0.0 110.95 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -160.05 106.56 0.29 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.499 1.125 . . . . 0.0 111.022 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.459 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -76.67 127.87 33.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.773 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.478 ' HB2' ' CG ' ' A' ' 6' ' ' PRO . 1.6 m-70 179.07 85.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.17 . . . . 0.0 109.633 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.484 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -50.22 -18.3 2.15 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 19' ' ' HIS . 3.6 tp10 -51.33 -27.97 11.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 0.78 . . . . 0.0 110.283 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.1 t -129.57 -78.19 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 108.352 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 6' ' ' PRO . 83.0 m-85 -89.36 159.58 44.15 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 111.045 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.426 ' C ' ' N ' ' A' ' 26' ' ' ASP . 18.0 Cg_endo -75.04 5.56 3.93 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.605 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 45.3 mm-40 -42.39 -25.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.426 ' N ' ' C ' ' A' ' 24' ' ' PRO . 0.3 OUTLIER -47.15 -45.02 22.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.357 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 24.0 m95 -41.73 -48.7 4.26 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.95 HD23 ' CB ' ' A' ' 40' ' ' ASP . 2.6 mp -58.18 151.36 19.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 28' ' ' LEU . 15.6 t 39.38 80.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 108.303 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.518 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -137.88 -51.67 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.246 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.518 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 178.62 -46.0 0.09 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.599 ' CD2' ' O ' ' A' ' 33' ' ' PRO . 28.7 t60 -123.66 142.48 39.27 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.486 0.757 . . . . 0.0 109.593 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.599 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 18.2 Cg_endo -75.04 144.9 30.65 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.474 1.776 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.16 38.24 1.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 36' ' ' ASP . 5.3 m -118.14 -172.53 2.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 108.317 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 35' ' ' CYS . 0.5 OUTLIER -38.99 -63.46 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.09 -49.52 3.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.37 67.1 0.08 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.557 1.161 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -119.95 -5.93 10.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 110.278 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.95 ' CB ' HD23 ' A' ' 28' ' ' LEU . 4.3 p-10 -66.08 -15.22 62.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.423 ' HG3' ' HA ' ' A' ' 33' ' ' PRO . 0.8 OUTLIER -135.43 18.19 3.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.244 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -51.42 -77.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 108.013 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.33 53.67 3.14 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 32.7 t . . . . . 0 C--N 1.324 -0.501 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.3 t . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.61 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -74.99 174.47 12.73 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.519 1.8 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.418 ' O ' ' HG2' ' A' ' 16' ' ' PRO . 18.2 Cg_endo -75.08 151.65 39.42 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.482 1.78 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.514 ' O ' ' CD2' ' A' ' 23' ' ' TYR . . . 176.37 84.39 0.06 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.459 1.1 . . . . 0.0 110.951 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.04 26.62 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 0.0 110.277 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.722 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -71.56 -158.86 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 111.008 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.59 17.18 19.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.334 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.722 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 7.2 t 75.82 56.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 108.33 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 p -145.35 9.9 1.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.03 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.51 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.8 pt-20 175.06 108.41 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.331 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.618 ' HB3' HD22 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.98 111.64 3.37 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.484 1.781 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.455 ' HD2' ' OE1' ' A' ' 25' ' ' GLN . 18.4 Cg_endo -74.92 -51.85 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.491 1.785 . . . . 0.0 111.016 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -150.05 99.09 0.19 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 111.052 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.602 ' HB1' ' HA ' ' A' ' 26' ' ' ASP . . . -72.95 126.63 30.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 0.773 . . . . 0.0 109.285 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.412 ' C ' ' N ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER 179.26 84.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.625 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -44.44 -23.96 0.57 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.444 1.09 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 19' ' ' HIS . 4.9 tp10 -42.48 -27.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.753 . . . . 0.0 110.332 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.417 ' N ' ' C ' ' A' ' 20' ' ' GLY . 5.2 t -136.75 -74.43 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 108.299 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.61 ' CD1' ' O ' ' A' ' 6' ' ' PRO . 79.2 m-85 -89.54 150.84 45.14 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.404 ' C ' ' N ' ' A' ' 26' ' ' ASP . 18.1 Cg_endo -75.02 7.62 2.79 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.455 ' OE1' ' HD2' ' A' ' 16' ' ' PRO . 47.5 mm-40 -48.06 -22.87 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.602 ' HA ' ' HB1' ' A' ' 18' ' ' ALA . 2.7 t70 -53.25 -39.04 63.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.43 ' O ' ' OD1' ' A' ' 30' ' ' ASP . 18.9 m95 -48.3 -35.27 11.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 107.989 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.811 HD23 ' CB ' ' A' ' 40' ' ' ASP . 5.0 mp -70.64 150.47 45.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.43 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 0.8 OUTLIER 49.22 78.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 108.293 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.484 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 2.4 p-10 -139.64 -62.0 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.74 -35.69 0.08 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.53 1.143 . . . . 0.0 110.97 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.423 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 1.7 m-70 -122.24 129.81 24.95 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.66 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 143.49 29.06 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.52 1.8 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -142.49 35.24 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.408 ' SG ' ' O ' ' A' ' 12' ' ' CYS . 18.0 m -112.44 -174.16 2.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 108.342 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -40.37 -50.35 2.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.16 -55.04 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 140.57 61.61 0.04 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -112.07 -6.68 14.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.767 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.811 ' CB ' HD23 ' A' ' 28' ' ' LEU . 2.5 p-10 -60.78 -14.96 24.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.43 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 5.8 pt-20 -147.79 31.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 45.5 t-105 -51.17 -86.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 108.011 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.66 50.88 3.32 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 0.0 111.0 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.401 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 32.3 t . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 174.31 13.0 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.502 1.791 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 128.06 11.19 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.449 1.763 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.558 ' O ' ' CD1' ' A' ' 23' ' ' TYR . . . 179.82 80.47 0.06 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.576 1.172 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -126.5 28.49 5.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.643 ' CD2' ' O ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -61.0 -156.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.85 17.32 18.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.636 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 1.9 t 76.25 49.88 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 108.307 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.61 8.71 3.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.974 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.643 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.8 pt-20 176.43 113.81 0.13 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.5 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.01 111.42 3.32 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.47 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.3 Cg_endo -74.97 -65.41 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.469 ' O ' ' NE2' ' A' ' 25' ' ' GLN . . . -141.92 85.25 0.2 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.444 ' HA ' ' CG ' ' A' ' 25' ' ' GLN . . . -42.13 131.5 3.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.486 ' N ' HE21 ' A' ' 25' ' ' GLN . 0.1 OUTLIER 178.85 84.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 109.588 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -57.13 -13.5 9.45 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.67 -16.57 11.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.75 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 9.0 t -142.74 -73.28 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 108.329 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.558 ' CD1' ' O ' ' A' ' 8' ' ' GLY . 21.1 m-85 -88.44 143.57 32.54 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.4 Cg_endo -74.99 6.64 3.26 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.455 1.766 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.548 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -58.24 -12.62 3.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 110.335 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -61.15 -20.32 62.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.419 ' O ' ' OD1' ' A' ' 30' ' ' ASP . 24.8 m0 -69.32 -23.48 63.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 107.978 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.653 HD23 ' CB ' ' A' ' 40' ' ' ASP . 5.7 mp -72.04 152.37 42.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.438 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 0.5 OUTLIER 47.04 78.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 108.305 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.492 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 2.2 p-10 -139.91 -62.52 0.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.78 -35.1 0.08 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.422 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 8.1 m-70 -116.79 121.26 33.1 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 109.591 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 112.63 3.6 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.472 1.775 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.22 59.88 1.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.29 -161.49 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 108.308 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.53 -45.64 3.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -132.33 -56.2 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 148.17 46.65 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.9 ptm85 -114.6 -12.12 12.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 0.772 . . . . 0.0 110.267 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.653 ' CB ' HD23 ' A' ' 28' ' ' LEU . 2.3 p-10 -46.02 -27.46 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.438 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 5.2 pt-20 -135.39 36.37 2.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 10.1 t90 -52.3 -89.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 108.008 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.33 52.2 3.38 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.6 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 173.26 14.82 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.496 1.788 . . . . 0.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 131.05 13.99 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.455 1.766 . . . . 0.0 111.043 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.592 ' O ' ' CD1' ' A' ' 23' ' ' TYR . . . 179.03 80.35 0.06 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.64 31.28 5.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.654 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -63.53 -156.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.87 18.01 17.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.654 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 7.7 t 75.38 51.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 108.255 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.1 p -137.66 8.8 2.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.628 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.3 pt-20 176.24 113.43 0.12 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.509 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.97 112.2 3.5 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.504 1.791 . . . . 0.0 110.99 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.47 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.2 Cg_endo -75.05 -66.23 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.488 1.783 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.469 ' O ' ' NE2' ' A' ' 25' ' ' GLN . . . -140.93 87.55 0.19 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.445 1.091 . . . . 0.0 111.016 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -42.41 131.18 3.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.493 ' N ' HE21 ' A' ' 25' ' ' GLN . 0.1 OUTLIER 178.68 86.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.611 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.94 -10.66 20.86 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.122 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -63.96 -11.58 29.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 0.79 . . . . 0.0 110.258 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.5 t -144.01 -74.34 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 108.295 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.592 ' CD1' ' O ' ' A' ' 8' ' ' GLY . 21.9 m-85 -89.63 144.91 32.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -74.93 8.41 2.4 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.523 1.801 . . . . 0.0 110.969 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.561 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -60.28 -10.22 4.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -60.78 -24.0 65.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.298 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.405 ' O ' ' OD1' ' A' ' 30' ' ' ASP . 49.8 m95 -65.54 -21.8 66.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 107.974 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.694 HD23 ' CB ' ' A' ' 40' ' ' ASP . 5.5 mp -75.96 151.82 37.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.258 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 49.5 75.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 108.305 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 2.1 p-10 -137.49 -62.42 0.61 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.406 ' C ' ' OE2' ' A' ' 41' ' ' GLU . . . 178.59 -35.87 0.08 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.422 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -120.52 122.76 28.46 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 109.605 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.421 ' HB2' ' CA ' ' A' ' 38' ' ' GLY . 18.3 Cg_endo -74.98 126.7 10.15 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -139.84 49.91 1.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.8 OUTLIER -116.48 -168.25 1.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 108.259 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 35' ' ' CYS . 27.0 t70 -38.15 -51.16 1.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -124.75 -56.96 1.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.421 ' CA ' ' HB2' ' A' ' 33' ' ' PRO . . . 146.16 51.5 0.03 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -114.87 1.76 14.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.694 ' CB ' HD23 ' A' ' 28' ' ' LEU . 1.5 p-10 -64.31 -12.82 45.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.422 ' OE2' ' C ' ' A' ' 32' ' ' HIS . 6.2 pt-20 -147.37 24.42 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -51.98 -77.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 108.043 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.25 45.84 2.89 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.476 1.11 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.423 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 42.1 t . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.73 12.28 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.466 1.771 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 126.14 9.74 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.482 1.78 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.587 ' O ' ' CD2' ' A' ' 23' ' ' TYR . . . 179.87 80.72 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.485 ' CG ' ' OH ' ' A' ' 23' ' ' TYR . 2.1 tt0 -127.18 31.51 5.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 110.291 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.658 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -64.03 -156.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 111.053 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -113.56 17.06 18.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.34 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.658 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 0.5 OUTLIER 76.62 51.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 108.317 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.3 p -137.49 8.62 2.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.977 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.627 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.3 pt-20 176.15 113.39 0.12 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.346 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.548 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.03 111.9 3.43 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.799 . . . . 0.0 110.966 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.482 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.2 Cg_endo -75.02 -64.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.521 1.8 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.57 92.93 0.18 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.428 ' HA ' ' CG ' ' A' ' 25' ' ' GLN . . . -49.09 132.11 19.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.776 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 178.37 85.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.58 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -57.75 -12.87 11.16 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.457 1.098 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER -54.42 -19.78 6.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 0.755 . . . . 0.0 110.293 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.423 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 26.6 t -136.62 -79.44 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 108.318 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.587 ' CD2' ' O ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -89.64 151.76 46.2 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.46 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 18.1 Cg_endo -75.02 13.16 1.07 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.539 1.81 . . . . 0.0 110.957 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.56 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -56.33 -14.95 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.321 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.83 -28.34 68.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 58.7 m95 -58.62 -25.4 62.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 107.997 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.786 HD23 ' CB ' ' A' ' 40' ' ' ASP . 5.0 mp -70.65 147.75 48.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.453 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 0.7 OUTLIER 46.85 73.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 108.301 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.55 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.2 OUTLIER -133.11 -53.02 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.55 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 177.99 -44.74 0.09 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.437 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.2 OUTLIER -117.1 128.65 25.88 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 109.621 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.463 ' HB2' ' CA ' ' A' ' 38' ' ' GLY . 18.4 Cg_endo -75.0 110.1 3.05 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.522 1.801 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -129.73 55.86 1.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -119.94 -165.12 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 108.332 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 35' ' ' CYS . 20.2 t0 -39.48 -50.17 2.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.28 -57.71 1.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.463 ' CA ' ' HB2' ' A' ' 33' ' ' PRO . . . 148.31 44.45 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.453 ' CZ ' ' HB2' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -109.14 -14.85 14.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 0.737 . . . . 0.0 110.344 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.786 ' CB ' HD23 ' A' ' 28' ' ' LEU . 5.0 p-10 -46.06 -26.39 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.453 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 8.1 pt-20 -138.41 34.35 2.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.533 ' CG ' ' N ' ' A' ' 43' ' ' GLY . 2.0 t-105 -50.75 -86.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 108.039 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.533 ' N ' ' CG ' ' A' ' 42' ' ' TRP . . . -77.4 50.86 3.23 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.501 1.125 . . . . 0.0 111.001 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.4 t . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 174.11 13.35 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.462 1.77 . . . . 0.0 111.002 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 131.28 14.17 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.555 1.818 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.487 ' CA ' ' HG2' ' A' ' 16' ' ' PRO . . . 178.59 82.06 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -126.9 33.96 4.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.664 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -66.84 -158.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.08 17.6 18.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.664 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 2.0 t 76.87 51.48 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 108.351 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 p -136.9 8.71 3.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.997 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.628 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 12.1 pt-20 175.92 113.77 0.12 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.546 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -75.01 110.53 3.14 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.511 1.795 . . . . 0.0 111.021 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.493 ' HD3' ' O ' ' A' ' 14' ' ' GLU . 18.3 Cg_endo -74.97 -65.29 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -140.58 85.53 0.21 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.125 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.432 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -55.59 132.74 49.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.42 ' C ' ' N ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER 179.01 84.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.122 . . . . 0.0 109.568 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -43.32 -24.12 0.33 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.136 . . . . 0.0 111.045 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.42 ' N ' ' C ' ' A' ' 19' ' ' HIS . 3.0 tp10 -40.96 -29.2 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 0.761 . . . . 0.0 110.29 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.415 ' N ' ' C ' ' A' ' 20' ' ' GLY . 7.3 t -136.24 -74.19 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 108.288 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.601 ' CG ' ' NE2' ' A' ' 25' ' ' GLN . 15.5 m-85 -88.76 148.87 42.61 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 111.043 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.456 ' C ' ' N ' ' A' ' 26' ' ' ASP . 18.1 Cg_endo -75.03 9.59 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.601 ' NE2' ' CG ' ' A' ' 23' ' ' TYR . 13.8 mt-30 -40.74 -26.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.456 ' N ' ' C ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -44.95 -47.08 11.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.401 ' C ' ' O ' ' A' ' 26' ' ' ASP . 47.6 m95 -41.45 -44.31 2.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 107.979 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.774 HD23 ' CB ' ' A' ' 40' ' ' ASP . 4.3 mp -61.57 147.57 45.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.465 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 35.9 t 45.31 75.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 108.291 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.519 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -135.6 -52.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.519 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 178.12 -45.71 0.09 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.554 1.159 . . . . 0.0 110.975 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.42 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -119.14 129.67 25.27 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 109.6 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.72 4.67 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.528 1.804 . . . . 0.0 110.994 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.67 57.6 1.8 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -116.68 -164.09 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 108.304 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 35' ' ' CYS . 19.6 t0 -39.29 -48.48 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -129.87 -53.83 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 147.63 70.22 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -143.13 15.09 1.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.774 ' CB ' HD23 ' A' ' 28' ' ' LEU . 1.9 p-10 -78.76 -1.55 35.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.465 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 10.3 pt-20 -155.72 25.6 0.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.601 ' CG ' ' N ' ' A' ' 43' ' ' GLY . 9.6 p-90 -60.7 -59.11 5.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 108.008 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.601 ' N ' ' CG ' ' A' ' 42' ' ' TRP . . . -78.86 5.12 58.99 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.465 1.103 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.0 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 174.62 12.45 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.493 1.786 . . . . 0.0 111.038 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 141.93 27.19 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.505 1.792 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.497 ' HA2' ' CG ' ' A' ' 16' ' ' PRO . . . 178.89 81.26 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.468 1.105 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -123.89 28.87 6.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 110.286 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.721 ' HE2' HD22 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -64.6 -154.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.63 17.28 17.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.628 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 13.4 t 75.38 53.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 108.295 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.8 p -140.75 9.97 2.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.645 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 7.9 pt-20 176.14 113.26 0.12 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.505 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.95 110.65 3.16 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.512 1.796 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.497 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.0 Cg_endo -75.07 -52.48 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.496 1.788 . . . . 0.0 110.959 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . -138.43 59.55 0.6 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.527 1.142 . . . . 0.0 110.957 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.648 ' HB1' ' HA ' ' A' ' 26' ' ' ASP . . . -38.69 118.47 0.75 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.463 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER 179.49 86.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.597 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.448 ' C ' ' N ' ' A' ' 22' ' ' CYS . . . -40.13 -25.49 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 19' ' ' HIS . 2.8 tp10 -39.71 -28.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.761 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.448 ' N ' ' C ' ' A' ' 20' ' ' GLY . 13.4 t -137.75 -68.68 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 108.283 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.461 ' CE1' ' O ' ' A' ' 8' ' ' GLY . 14.1 m-85 -95.1 137.99 22.09 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.173 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -74.99 5.12 4.17 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.512 1.796 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.55 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -55.66 -14.07 2.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.648 ' HA ' ' HB1' ' A' ' 18' ' ' ALA . 1.0 OUTLIER -52.66 -33.46 47.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.429 ' O ' ' OD1' ' A' ' 30' ' ' ASP . 57.0 m95 -54.64 -36.71 64.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 107.951 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.721 HD22 ' HE2' ' A' ' 10' ' ' PHE . 5.3 mp -66.39 151.31 47.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 48.76 79.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 108.283 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.468 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 3.6 p-10 -142.7 -63.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 177.57 -34.41 0.08 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.455 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -119.52 125.89 27.26 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.473 0.749 . . . . 0.0 109.624 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.416 ' HB2' ' CA ' ' A' ' 38' ' ' GLY . 18.2 Cg_endo -75.03 131.49 14.32 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.518 1.799 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -149.8 39.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.57 ' SG ' HD21 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -108.22 -166.37 1.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 108.312 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 35' ' ' CYS . 0.2 OUTLIER -37.53 -53.74 1.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -119.42 -61.3 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.416 ' CA ' ' HB2' ' A' ' 33' ' ' PRO . . . 150.57 44.33 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 111.035 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -112.42 -5.22 14.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 0.0 110.333 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.563 ' CB ' HD23 ' A' ' 28' ' ' LEU . 45.4 p-10 -46.36 -27.97 1.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.455 ' OE2' ' C ' ' A' ' 32' ' ' HIS . 3.9 pt-20 -129.15 37.82 4.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -54.99 -93.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 108.031 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.73 52.15 3.15 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.518 1.136 . . . . 0.0 111.047 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.1 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.419 ' HG2' ' O ' ' A' ' 17' ' ' GLY . 18.3 Cg_endo -74.95 174.59 12.51 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.467 1.772 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.4 35.22 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.505 1.792 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.5 ' HA2' ' CG ' ' A' ' 16' ' ' PRO . . . 178.59 81.05 0.06 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.8 pm0 -125.95 29.58 5.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.666 ' CE1' ' NE2' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -65.05 -155.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.997 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.45 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -114.9 21.67 14.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 110.296 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.656 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 43.5 t 70.15 57.78 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 108.334 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.8 p -147.03 10.69 1.02 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.614 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 7.9 pt-20 175.2 111.34 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.459 ' HA ' ' OE1' ' A' ' 25' ' ' GLN . 18.1 Cg_endo -75.06 113.14 3.72 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.784 . . . . 0.0 110.959 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.5 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.5 Cg_endo -74.97 -57.42 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 0.0 111.042 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.419 ' O ' ' HG2' ' A' ' 6' ' ' PRO . . . -134.2 59.45 0.67 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.539 1.149 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -42.76 120.26 1.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER 179.33 90.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.591 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 22' ' ' CYS . . . -40.45 -25.34 0.09 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 19' ' ' HIS . 1.2 tt0 -39.49 -29.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 0.787 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 20' ' ' GLY . 13.5 t -136.36 -72.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.289 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.44 ' C ' ' H ' ' A' ' 25' ' ' GLN . 75.5 m-85 -93.19 147.27 33.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -74.98 13.09 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.428 1.751 . . . . 0.0 110.986 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.666 ' NE2' ' CE1' ' A' ' 10' ' ' PHE . 12.7 mm-40 -51.76 -18.43 1.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.283 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' A' ' 26' ' ' ASP . 1.1 t0 -51.42 -43.9 62.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.4 ' O ' ' OD1' ' A' ' 30' ' ' ASP . 37.9 m95 -44.83 -36.96 3.52 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.912 HD23 ' CB ' ' A' ' 40' ' ' ASP . 3.6 mp -76.99 157.54 31.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 46.66 75.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 108.289 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.487 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 1.3 p-10 -137.06 -60.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.419 ' C ' ' OE2' ' A' ' 41' ' ' GLU . . . 179.38 -37.55 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 110.971 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.432 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 1.1 m80 -121.77 131.76 24.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 109.575 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 147.95 34.7 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.5 1.789 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.67 45.44 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.441 ' SG ' ' O ' ' A' ' 12' ' ' CYS . 1.1 m -119.84 -169.45 1.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 108.288 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 35' ' ' CYS . 21.5 t70 -37.82 -58.2 0.94 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.19 -58.58 2.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 146.48 43.87 0.04 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.456 1.098 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.1 ptt180 -103.45 -9.25 19.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.752 . . . . 0.0 110.3 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.912 ' CB ' HD23 ' A' ' 28' ' ' LEU . 21.8 p-10 -45.9 -27.36 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.432 ' OE2' ' C ' ' A' ' 32' ' ' HIS . 5.3 pt-20 -138.51 37.27 2.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 63.7 t-105 -51.37 -87.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 107.997 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.24 51.23 3.23 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.524 1.14 . . . . 0.0 111.065 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.422 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 27.0 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.66 15.93 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 140.63 25.58 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.475 1.776 . . . . 0.0 110.975 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.616 ' O ' ' CE2' ' A' ' 23' ' ' TYR . . . 179.36 81.06 0.06 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -128.27 27.84 5.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 0.795 . . . . 0.0 110.258 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.653 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -64.36 -158.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.75 18.91 17.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.653 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 6.7 t 74.52 52.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 108.234 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.434 ' O ' ' NE ' ' A' ' 39' ' ' ARG . 20.0 p -137.83 8.59 2.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.618 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.1 pt-20 176.3 113.68 0.12 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.551 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.0 111.94 3.44 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.504 1.791 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.483 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.3 Cg_endo -74.98 -61.37 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -139.92 94.87 0.2 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.481 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -64.87 122.88 18.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 0.722 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.425 ' C ' ' N ' ' A' ' 21' ' ' GLU . 0.5 OUTLIER 179.25 85.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.613 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -44.47 -22.83 0.43 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.132 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.425 ' N ' ' C ' ' A' ' 19' ' ' HIS . 2.8 tp10 -40.75 -30.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 110.305 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.422 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 37.2 t -128.41 -81.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 108.297 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.616 ' CE2' ' O ' ' A' ' 8' ' ' GLY . 0.3 OUTLIER -90.38 154.2 46.49 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.452 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 18.4 Cg_endo -74.92 32.47 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.472 1.775 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.505 ' H ' ' C ' ' A' ' 23' ' ' TYR . 17.1 mt-30 -59.84 -20.62 58.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.85 -38.98 73.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.411 ' O ' ' OD1' ' A' ' 30' ' ' ASP . 50.7 m95 -48.01 -30.86 4.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 108.031 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.828 HD23 ' CB ' ' A' ' 40' ' ' ASP . 4.6 mp -77.14 156.65 31.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 44.2 t 42.45 78.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 108.245 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.482 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 1.0 OUTLIER -137.39 -65.19 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 177.38 -33.68 0.08 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.413 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 1.6 t-80 -123.5 126.76 25.74 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.523 0.778 . . . . 0.0 109.596 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.471 ' N ' ' OE2' ' A' ' 41' ' ' GLU . 18.4 Cg_endo -74.98 132.88 15.96 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.536 1.809 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.6 29.82 4.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' A' ' 12' ' ' CYS . 18.0 m -102.6 -174.43 2.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 108.289 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' CYS . 28.3 t70 -39.68 -56.45 1.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -118.43 -47.67 2.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.604 ' O ' ' CZ3' ' A' ' 42' ' ' TRP . . . 134.43 76.54 0.09 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.434 ' NE ' ' O ' ' A' ' 13' ' ' SER . 5.1 ptm85 -132.54 7.06 4.13 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.529 0.782 . . . . 0.0 110.261 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.828 ' CB ' HD23 ' A' ' 28' ' ' LEU . 1.1 p-10 -76.85 -1.48 28.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.471 ' OE2' ' N ' ' A' ' 33' ' ' PRO . 4.0 pt-20 -144.68 16.96 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.296 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.604 ' CZ3' ' O ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -50.8 -79.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.68 50.24 3.22 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.464 1.103 . . . . 0.0 110.952 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 11.4 t . . . . . 0 C--N 1.326 -0.441 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.8 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.401 ' HG2' ' O ' ' A' ' 17' ' ' GLY . 18.2 Cg_endo -75.04 174.17 13.26 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 147.18 33.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.481 1.779 . . . . 0.0 110.962 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.485 ' HA2' ' CG ' ' A' ' 16' ' ' PRO . . . 178.14 81.68 0.06 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.97 30.43 6.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.633 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -65.55 -156.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 111.009 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.445 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 2.4 ttm-85 -114.98 20.95 14.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.633 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 42.2 t 72.06 54.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 108.3 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.85 9.39 1.95 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.041 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.625 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 7.8 pt-20 175.68 112.33 0.11 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.477 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.05 111.71 3.39 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.509 1.794 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.485 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.2 Cg_endo -75.01 -56.7 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.478 1.778 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.401 ' O ' ' HG2' ' A' ' 6' ' ' PRO . . . -134.58 56.03 0.72 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.516 1.135 . . . . 0.0 111.045 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.519 ' O ' ' CG ' ' A' ' 19' ' ' HIS . . . -40.45 120.34 1.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 0.738 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.519 ' CG ' ' O ' ' A' ' 18' ' ' ALA . 2.2 m-70 179.09 89.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.601 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.437 ' C ' ' N ' ' A' ' 22' ' ' CYS . . . -38.98 -26.59 0.05 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 19' ' ' HIS . 2.1 tp10 -39.74 -28.98 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 0.759 . . . . 0.0 110.266 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.437 ' N ' ' C ' ' A' ' 20' ' ' GLY . 6.4 t -140.37 -62.05 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 108.328 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -101.64 142.85 25.43 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.439 ' C ' ' N ' ' A' ' 26' ' ' ASP . 18.3 Cg_endo -74.99 9.77 1.92 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.536 1.809 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.538 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 1.1 mt-30 -46.91 -20.61 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.439 ' N ' ' C ' ' A' ' 24' ' ' PRO . 0.2 OUTLIER -47.93 -44.86 30.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -44.78 -39.36 5.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 107.986 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.835 HD23 ' CB ' ' A' ' 40' ' ' ASP . 3.9 mp -77.17 159.11 29.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.421 ' HA ' ' HB3' ' A' ' 41' ' ' GLU . 0.5 OUTLIER 41.81 76.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 108.312 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.507 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.3 OUTLIER -137.48 -50.83 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.507 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 179.13 -47.18 0.09 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.105 . . . . 0.0 111.044 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.435 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -122.39 137.29 27.46 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.747 . . . . 0.0 109.628 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 149.15 36.37 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.463 1.77 . . . . 0.0 111.062 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -164.93 54.56 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.8 OUTLIER -122.47 -166.49 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 108.305 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.461 ' C ' ' O ' ' A' ' 35' ' ' CYS . 1.1 t70 -36.16 -54.81 0.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.78 -63.87 1.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.524 ' O ' ' CE3' ' A' ' 42' ' ' TRP . . . 153.54 43.41 0.02 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -111.05 -3.42 15.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.835 ' CB ' HD23 ' A' ' 28' ' ' LEU . 24.7 p-10 -47.2 -26.91 1.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.435 ' OE2' ' C ' ' A' ' 32' ' ' HIS . 5.3 pt-20 -140.74 42.64 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.524 ' CE3' ' O ' ' A' ' 38' ' ' GLY . 0.4 OUTLIER -55.88 -76.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 107.969 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.41 45.65 2.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.1 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 172.9 15.47 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.526 1.803 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 110.17 3.07 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.53 1.805 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.457 ' CA ' ' CG ' ' A' ' 16' ' ' PRO . . . 179.84 80.34 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.444 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -130.13 147.11 51.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 0.803 . . . . 0.0 110.304 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.725 ' CE2' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -165.75 -157.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.534 ' O ' ' CB ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -116.0 10.7 15.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.268 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.632 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 2.7 t 90.1 55.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 108.329 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.2 p -140.42 6.87 2.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.001 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.654 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 8.2 pt-20 173.79 116.86 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.764 ' CB ' HD22 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.02 112.91 3.67 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.562 1.822 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.457 ' CG ' ' CA ' ' A' ' 8' ' ' GLY . 18.4 Cg_endo -74.99 -63.86 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.428 1.751 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -151.28 105.89 0.3 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.45 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -54.22 124.5 15.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 177.92 84.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.592 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -53.28 -16.68 4.94 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.134 . . . . 0.0 111.053 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -40.89 -37.28 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 0.0 110.271 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.0 t -127.83 -76.45 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 108.313 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.483 ' C ' ' H ' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -88.48 151.41 48.25 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.429 ' HB2' ' CD1' ' A' ' 27' ' ' TRP . 18.4 Cg_endo -74.92 37.7 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.587 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 4.6 mt-30 -59.64 -23.28 62.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -64.12 -24.47 67.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.429 ' CD1' ' HB2' ' A' ' 24' ' ' PRO . 23.3 m95 -61.24 -32.62 72.42 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.944 HD23 ' CB ' ' A' ' 40' ' ' ASP . 2.7 mp -72.7 154.78 40.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.432 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 0.8 OUTLIER 39.95 81.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 108.321 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.425 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 3.1 p-10 -137.51 -57.41 0.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 179.47 -40.81 0.08 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 1.2 m170 -126.41 134.48 26.05 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.443 0.731 . . . . 0.0 109.546 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.423 ' HB2' ' CA ' ' A' ' 38' ' ' GLY . 18.3 Cg_endo -74.99 137.06 21.25 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.453 1.765 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.38 33.21 3.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.415 ' SG ' ' O ' ' A' ' 12' ' ' CYS . 24.0 m -107.79 -176.01 2.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 108.303 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -39.93 -55.94 1.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.4 -51.56 2.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.423 ' CA ' ' HB2' ' A' ' 33' ' ' PRO . . . 136.69 68.91 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.549 1.155 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -118.14 -7.95 10.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 110.262 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.944 ' CB ' HD23 ' A' ' 28' ' ' LEU . 2.6 p-10 -61.92 -13.62 26.76 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.432 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 7.3 pt-20 -151.64 34.72 0.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -50.39 -83.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 108.032 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.9 52.0 3.2 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.9 t . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.416 ' HG2' ' O ' ' A' ' 17' ' ' GLY . 18.5 Cg_endo -74.96 175.14 11.62 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.509 1.794 . . . . 0.0 111.062 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 135.75 19.49 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.498 1.788 . . . . 0.0 110.943 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.589 ' O ' ' CE2' ' A' ' 23' ' ' TYR . . . 179.22 80.76 0.06 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.48 1.113 . . . . 0.0 110.966 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -125.11 34.32 4.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 110.297 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.653 ' CD2' ' O ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -67.27 -154.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 111.015 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.446 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -115.56 20.13 14.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.639 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 42.9 t 72.59 54.66 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 108.333 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.5 p -141.71 9.35 1.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.986 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.653 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 10.5 pt-20 175.79 113.11 0.11 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.463 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.05 111.63 3.37 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.487 ' HG2' ' CA ' ' A' ' 8' ' ' GLY . 18.1 Cg_endo -75.03 -59.49 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 0.0 110.954 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.416 ' O ' ' HG2' ' A' ' 6' ' ' PRO . . . -137.83 64.44 0.56 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.442 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -41.69 126.93 3.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.756 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.461 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER 179.34 87.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.626 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -41.1 -24.62 0.1 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 110.961 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -39.78 -32.52 0.15 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 0.774 . . . . 0.0 110.286 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.9 t -132.77 -74.34 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 108.324 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.589 ' CE2' ' O ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -90.11 149.15 40.96 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.426 ' C ' ' N ' ' A' ' 26' ' ' ASP . 18.2 Cg_endo -75.02 11.74 1.38 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.504 1.792 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.577 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 7.7 mt-30 -44.12 -23.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.428 ' O ' ' O ' ' A' ' 28' ' ' LEU . 0.4 OUTLIER -49.91 -45.15 50.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.3 m0 -43.83 -37.23 2.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 108.05 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.845 HD23 ' CB ' ' A' ' 40' ' ' ASP . 3.7 mp -77.41 156.07 31.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.433 ' HA ' ' HB3' ' A' ' 41' ' ' GLU . 0.5 OUTLIER 44.65 77.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 108.295 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.492 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.7 OUTLIER -136.37 -51.55 0.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.492 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 179.1 -46.66 0.09 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.438 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -118.85 132.45 23.9 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 0.788 . . . . 0.0 109.585 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 135.3 18.84 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.515 1.797 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -157.02 70.37 0.62 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.442 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -133.34 -164.4 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 108.336 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 35' ' ' CYS . 27.9 t0 -37.31 -46.57 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.09 -63.39 1.01 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 155.16 42.87 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.409 ' C ' ' N ' ' A' ' 41' ' ' GLU . 13.1 ptm180 -111.64 -7.04 14.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.757 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.845 ' CB ' HD23 ' A' ' 28' ' ' LEU . 24.1 p-10 -45.92 -27.09 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.244 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.438 ' OE2' ' C ' ' A' ' 32' ' ' HIS . 6.0 pt-20 -143.55 44.5 1.51 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 110.309 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -53.65 -81.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 108.045 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.07 48.77 3.39 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.405 ' CB ' ' HB2' ' A' ' 41' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 37.3 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.56 ' HG3' ' CD2' ' A' ' 19' ' ' HIS . 18.3 Cg_endo -75.02 156.36 42.9 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.447 1.762 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 6' ' ' PRO . 18.3 Cg_endo -74.98 118.57 5.32 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.461 1.769 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.413 ' HA3' ' OE1' ' A' ' 25' ' ' GLN . . . 178.01 83.18 0.06 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.465 1.103 . . . . 0.0 110.963 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.566 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 4.7 pm0 -121.94 152.21 39.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 110.295 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.764 ' CZ ' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -166.03 -158.16 0.33 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.464 ' O ' ' CB ' ' A' ' 12' ' ' CYS . 3.1 ttt180 -113.96 12.17 17.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.662 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 5.2 t 85.58 56.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 108.246 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.4 p -142.61 7.82 1.71 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.655 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 12.8 pt-20 174.15 116.99 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.801 ' CB ' HD22 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.05 112.99 3.69 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.497 1.788 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -70.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 0.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -141.85 101.16 0.27 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.63 126.15 9.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 0.734 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.56 ' CD2' ' HG3' ' A' ' 6' ' ' PRO . 0.9 OUTLIER 178.06 85.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.575 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -68.25 -1.57 21.46 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.46 -11.04 60.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.0 t -141.7 -78.9 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.133 . . . . 0.0 108.298 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.566 ' CE1' ' HB3' ' A' ' 9' ' ' GLN . 23.9 m-85 -88.19 167.0 20.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.403 ' O ' ' N ' ' A' ' 27' ' ' TRP . 18.4 Cg_endo -74.98 12.64 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.504 1.792 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.602 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 12.7 mt-30 -45.14 -37.42 4.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -53.07 -42.37 65.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 109.322 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.403 ' N ' ' O ' ' A' ' 24' ' ' PRO . 41.7 m95 -42.16 -44.57 3.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.164 . . . . 0.0 108.002 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.969 HD23 ' CB ' ' A' ' 40' ' ' ASP . 2.2 mp -64.6 152.8 41.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 28' ' ' LEU . 53.5 t 40.71 81.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 108.301 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.457 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.4 OUTLIER -136.57 -48.07 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.457 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 179.55 -49.7 0.09 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.506 1.128 . . . . 0.0 111.042 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.402 ' O ' ' CD ' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -127.01 153.44 76.48 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 0.762 . . . . 0.0 109.617 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 161.79 38.29 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.473 1.775 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -167.33 32.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 36' ' ' ASP . 5.3 m -113.98 -172.51 2.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 108.272 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 35' ' ' CYS . 0.5 OUTLIER -39.02 -57.93 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.01 -50.45 2.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.17 55.4 0.1 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.556 1.16 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -109.03 -15.07 14.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 0.0 110.328 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.969 ' CB ' HD23 ' A' ' 28' ' ' LEU . 4.9 p-10 -52.63 -21.4 3.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.275 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.464 ' CG ' ' OD2' ' A' ' 40' ' ' ASP . 0.8 OUTLIER -134.89 31.01 3.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 58.3 t-105 -51.6 -88.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 108.019 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.33 55.6 2.82 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 49.1 t . . . . . 0 C--N 1.325 -0.478 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.946 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.43 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 40.7 t . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 174.89 12.02 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.481 1.78 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 124.72 8.85 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.434 1.755 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.593 ' O ' ' CD2' ' A' ' 23' ' ' TYR . . . -177.09 79.5 0.07 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.543 ' HG3' ' CE1' ' A' ' 23' ' ' TYR . 1.4 tt0 -127.66 33.46 4.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 0.76 . . . . 0.0 110.249 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.693 ' HZ ' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -66.17 -158.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.51 17.49 19.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.102 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.646 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 2.8 t 76.71 52.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 108.275 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.5 p -138.64 9.0 2.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.951 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.622 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.2 pt-20 176.2 113.41 0.12 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.309 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.627 ' CB ' HD22 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -75.0 111.16 3.26 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.492 1.785 . . . . 0.0 111.048 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.474 ' HD3' ' O ' ' A' ' 14' ' ' GLU . 18.2 Cg_endo -75.02 -62.34 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.535 1.808 . . . . 0.0 110.985 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -141.91 96.21 0.2 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.476 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -57.58 125.75 24.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 0.772 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 178.43 85.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.627 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.446 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -50.08 -18.99 2.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -41.11 -37.46 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 110.312 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.43 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 38.1 t -123.02 -79.99 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 108.274 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CD2' ' O ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -89.31 155.42 49.0 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.57 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 18.2 Cg_endo -75.04 34.06 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.783 . . . . 0.0 110.98 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.505 ' H ' ' C ' ' A' ' 23' ' ' TYR . 8.2 mt-30 -58.5 -21.51 52.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.39 -41.2 93.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -45.27 -31.09 1.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 108.02 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.808 HD23 ' CB ' ' A' ' 40' ' ' ASP . 4.6 mp -77.51 151.69 34.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.459 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 47.4 t 43.32 73.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 108.33 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.53 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.3 OUTLIER -132.33 -53.04 0.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.53 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 177.17 -45.09 0.1 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.442 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 13.5 t60 -119.84 127.84 26.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 109.649 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.464 ' HB2' ' CA ' ' A' ' 38' ' ' GLY . 18.3 Cg_endo -74.99 114.46 4.03 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.463 1.77 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -127.27 54.31 1.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.7 OUTLIER -114.73 -167.8 1.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 108.301 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 35' ' ' CYS . 22.1 t70 -40.01 -51.39 2.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -124.36 -48.45 1.83 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.464 ' CA ' ' HB2' ' A' ' 33' ' ' PRO . . . 136.97 69.62 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.546 1.154 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -137.65 10.92 2.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.808 ' CB ' HD23 ' A' ' 28' ' ' LEU . 2.0 p-10 -75.72 -2.32 29.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.459 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 7.8 pt-20 -154.67 26.14 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -50.28 -80.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 108.001 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.99 46.64 2.98 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 36.7 t . . . . . 0 C--N 1.325 -0.478 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.435 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 26.0 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 171.62 17.96 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.471 1.774 . . . . 0.0 110.974 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 141.66 26.72 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.618 ' O ' ' CE2' ' A' ' 23' ' ' TYR . . . 178.68 82.11 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.69 31.05 5.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.654 ' HZ ' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -65.85 -158.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 111.023 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.66 18.62 17.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.642 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 4.9 t 75.97 52.56 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 108.314 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.4 p -137.81 8.44 2.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.996 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.618 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.7 pt-20 175.92 113.79 0.12 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 110.339 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.587 ' CB ' HD22 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.95 110.98 3.22 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.463 1.77 . . . . 0.0 110.977 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.483 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.4 Cg_endo -74.97 -60.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.524 1.802 . . . . 0.0 111.027 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -139.14 94.44 0.2 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.117 . . . . 0.0 110.944 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.484 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -68.66 122.17 17.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 0.732 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 178.81 86.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.603 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.476 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -41.83 -23.96 0.15 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.461 1.101 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 19' ' ' HIS . 4.0 tp10 -40.75 -29.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 0.786 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.435 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 44.5 t -130.02 -82.3 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 108.303 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.618 ' CE2' ' O ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -88.71 159.15 46.91 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 111.008 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.562 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -74.99 13.39 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.461 1.769 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.484 ' CB ' ' HA ' ' A' ' 18' ' ' ALA . 15.6 mt-30 -41.75 -26.96 0.09 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 110.261 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -47.26 -47.4 24.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.427 ' C ' ' O ' ' A' ' 26' ' ' ASP . 16.4 m0 -40.49 -44.56 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 107.968 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.81 HD23 ' CB ' ' A' ' 40' ' ' ASP . 4.3 mp -63.41 146.91 52.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.45 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 52.5 t 43.86 75.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 108.303 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.531 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -134.56 -52.33 0.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.531 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 178.21 -46.15 0.09 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.532 1.145 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.437 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -124.44 138.14 30.51 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 0.744 . . . . 0.0 109.587 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.43 ' N ' ' OE2' ' A' ' 41' ' ' GLU . 18.2 Cg_endo -75.04 145.03 30.82 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.781 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.74 26.76 1.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.42 ' SG ' ' O ' ' A' ' 12' ' ' CYS . 9.6 m -98.23 -173.26 2.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 108.274 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -39.55 -51.96 2.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.9 -51.9 2.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.414 ' CA ' ' HB2' ' A' ' 33' ' ' PRO . . . 138.88 74.22 0.05 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -132.1 7.38 4.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.581 0.813 . . . . 0.0 110.286 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.81 ' CB ' HD23 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -76.07 -1.98 28.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.45 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 8.3 pt-20 -151.7 25.05 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.497 ' CG ' ' N ' ' A' ' 43' ' ' GLY . 3.4 t90 -50.33 -83.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.497 ' N ' ' CG ' ' A' ' 42' ' ' TRP . . . -78.08 48.5 3.05 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 18.8 t . . . . . 0 C--N 1.326 -0.452 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.412 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 14.6 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.479 ' CG ' ' HB2' ' A' ' 19' ' ' HIS . 18.2 Cg_endo -75.02 174.94 11.93 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.518 1.799 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.435 ' O ' ' HG2' ' A' ' 16' ' ' PRO . 18.3 Cg_endo -75.01 151.64 39.73 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.782 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 176.59 79.52 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.483 1.115 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -132.24 21.03 4.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 0.796 . . . . 0.0 110.334 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.66 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -67.44 -156.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.417 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -115.32 19.31 15.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.66 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 34.9 t 73.52 55.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 108.297 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.7 p -144.57 9.23 1.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.007 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.533 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 7.7 pt-20 174.39 108.94 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.476 ' HG3' ' HB3' ' A' ' 28' ' ' LEU . 18.5 Cg_endo -74.98 111.69 3.39 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.441 ' HD3' ' O ' ' A' ' 14' ' ' GLU . 18.4 Cg_endo -74.96 -42.87 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.535 1.808 . . . . 0.0 111.051 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -158.27 99.0 0.18 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.122 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.631 ' HB1' ' HA ' ' A' ' 26' ' ' ASP . . . -71.69 129.43 38.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 0.746 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.479 ' HB2' ' CG ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER 179.16 86.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.613 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -48.7 -20.65 1.82 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -48.41 -23.32 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 0.79 . . . . 0.0 110.289 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.412 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 10.2 t -137.17 -76.46 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 108.299 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.443 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 15.4 m-85 -92.76 157.11 40.2 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.42 ' C ' ' N ' ' A' ' 26' ' ' ASP . 18.2 Cg_endo -75.04 7.6 2.81 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.496 1.787 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.559 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 22.4 mm-40 -45.76 -23.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.631 ' HA ' ' HB1' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -55.69 -46.02 77.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.261 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' ASP . 21.5 m95 -41.07 -37.42 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 108.008 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.966 HD23 ' CB ' ' A' ' 40' ' ' ASP . 2.5 mp -77.97 149.97 34.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.408 ' HA ' ' HB3' ' A' ' 41' ' ' GLU . 0.5 OUTLIER 52.32 71.32 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 108.315 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.531 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.3 OUTLIER -134.15 -52.16 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.531 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 178.71 -45.89 0.09 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.514 1.134 . . . . 0.0 111.044 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.447 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -119.73 135.08 23.97 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.513 0.772 . . . . 0.0 109.584 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 151.23 39.12 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.523 1.801 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -159.12 47.71 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.425 ' SG ' ' O ' ' A' ' 12' ' ' CYS . 0.8 OUTLIER -120.13 -169.15 1.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 108.284 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 35' ' ' CYS . 2.0 t70 -38.86 -56.83 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -114.72 -60.64 1.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 148.35 43.67 0.03 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -102.43 -10.96 18.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.966 ' CB ' HD23 ' A' ' 28' ' ' LEU . 19.9 p-10 -45.79 -27.36 0.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.447 ' OE2' ' C ' ' A' ' 32' ' ' HIS . 7.1 pt-20 -140.33 38.26 1.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 61.6 t-105 -50.89 -84.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 107.957 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.78 48.32 3.23 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.415 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 44.4 t . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 174.27 13.08 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.492 1.785 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 127.01 10.37 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.505 1.792 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.495 ' CA ' ' HG2' ' A' ' 16' ' ' PRO . . . 178.3 81.67 0.06 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.447 1.092 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -126.07 35.9 4.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.757 . . . . 0.0 110.331 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.654 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -68.71 -158.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.447 1.092 . . . . 0.0 110.973 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.2 17.31 18.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.654 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 5.7 t 77.45 53.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 108.269 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.7 p -139.16 8.64 2.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.002 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.592 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 13.1 pt-20 175.3 112.32 0.1 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.559 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.0 110.98 3.22 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 111.0 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.495 ' HG2' ' CA ' ' A' ' 8' ' ' GLY . 18.4 Cg_endo -75.03 -62.92 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.462 1.769 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.72 89.37 0.17 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.01 134.34 13.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.787 . . . . 0.0 109.329 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 179.06 87.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.63 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.466 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -58.52 -11.76 11.17 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.528 1.142 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -55.89 -30.92 62.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 0.771 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 17.7 t -125.52 -77.4 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.122 . . . . 0.0 108.32 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.467 ' CD2' ' O ' ' A' ' 8' ' ' GLY . 7.4 m-85 -89.03 158.31 47.19 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 14.0 0.93 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.506 1.793 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.449 ' CD ' ' HA3' ' A' ' 8' ' ' GLY . 1.7 mt-30 -46.64 -25.57 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.333 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -52.81 -42.7 65.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 44.7 m95 -45.87 -34.21 3.69 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.823 HD23 ' CB ' ' A' ' 40' ' ' ASP . 4.7 mp -77.18 156.84 31.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 45.72 72.25 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 108.35 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.482 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.4 OUTLIER -131.93 -49.3 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.482 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 179.14 -49.24 0.09 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.436 ' O ' ' OE2' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -126.89 144.76 51.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 109.614 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.425 ' HA ' ' OE2' ' A' ' 41' ' ' GLU . 18.3 Cg_endo -75.05 154.89 42.59 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.453 1.765 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -168.96 33.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -94.13 -164.87 1.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 108.293 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' CYS . 0.3 OUTLIER -39.59 -51.4 2.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -116.44 -61.9 1.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 150.77 60.6 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -134.96 18.75 3.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 110.276 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.823 ' CB ' HD23 ' A' ' 28' ' ' LEU . 5.6 p-10 -80.53 2.24 26.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.443 ' OE2' ' OD2' ' A' ' 40' ' ' ASP . 0.1 OUTLIER -163.73 38.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 41.3 t-105 -51.53 -90.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 108.027 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.07 46.56 2.98 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.445 1.09 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 13.8 t . . . . . 0 C--N 1.325 -0.474 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 23.1 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.419 ' HG2' ' O ' ' A' ' 17' ' ' GLY . 18.2 Cg_endo -75.01 174.82 12.13 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 141.39 26.65 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.515 1.797 . . . . 0.0 110.998 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.494 ' HA2' ' CG ' ' A' ' 16' ' ' PRO . . . 178.91 81.05 0.06 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.138 . . . . 0.0 111.022 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -123.29 27.34 7.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 0.783 . . . . 0.0 110.263 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.715 ' HE2' HD22 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -62.98 -154.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.963 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.94 18.71 16.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.618 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 19.3 t 73.88 53.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 108.312 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.9 t -140.4 9.72 2.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.992 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.653 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.5 pt-20 176.33 113.53 0.12 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.269 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.497 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.06 110.48 3.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.494 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.3 Cg_endo -74.97 -52.3 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.457 1.767 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.448 ' O ' ' NE2' ' A' ' 25' ' ' GLN . . . -138.59 59.51 0.6 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.12 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.566 ' HB1' ' HA ' ' A' ' 26' ' ' ASP . . . -38.52 118.73 0.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 0.765 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.472 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER 179.48 86.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.636 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 22' ' ' CYS . . . -40.26 -25.34 0.08 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 19' ' ' HIS . 3.0 tp10 -39.48 -28.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 0.733 . . . . 0.0 110.331 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' GLY . 11.4 t -138.35 -71.48 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 108.326 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.417 ' HB2' ' NE2' ' A' ' 25' ' ' GLN . 9.7 m-85 -90.66 137.71 26.97 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 111.049 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.599 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 18.4 Cg_endo -74.95 3.5 5.54 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.447 1.762 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.529 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -53.23 -15.99 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.566 ' HA ' ' HB1' ' A' ' 18' ' ' ALA . 0.8 OUTLIER -47.87 -42.17 25.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 24' ' ' PRO . 51.3 m95 -45.84 -42.72 12.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 108.0 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.715 HD22 ' HE2' ' A' ' 10' ' ' PHE . 5.2 mp -61.77 149.36 40.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.47 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 0.8 OUTLIER 43.76 74.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 108.306 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.539 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -135.7 -52.6 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.539 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 178.31 -45.41 0.09 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.425 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.8 OUTLIER -115.4 135.14 22.54 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.538 0.787 . . . . 0.0 109.639 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 127.1 10.38 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.504 1.792 . . . . 0.0 110.97 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -155.82 69.83 0.68 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.6 ' SG ' HD21 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -134.79 -162.75 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 108.324 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 35' ' ' CYS . 12.5 t70 -37.62 -49.11 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -126.58 -59.45 1.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 151.74 44.0 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.563 1.164 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.578 ' HB3' ' CE3' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -116.63 -3.76 11.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.774 . . . . 0.0 110.332 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.582 ' CB ' HD23 ' A' ' 28' ' ' LEU . 37.7 p-10 -46.09 -28.91 1.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.47 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 5.2 pt-20 -138.06 39.9 2.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.25 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.578 ' CE3' ' HB3' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -51.61 -83.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 107.998 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.51 45.85 2.95 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.467 1.104 . . . . 0.0 111.041 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.436 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 4.0 t . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.461 ' CG ' ' HB2' ' A' ' 19' ' ' HIS . 18.4 Cg_endo -75.03 174.88 12.02 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.484 1.781 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 151.68 39.98 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.457 1.767 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.494 ' HA3' ' CG ' ' A' ' 25' ' ' GLN . . . 178.57 81.29 0.06 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -141.82 22.36 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 0.788 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.729 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -67.58 -159.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.578 ' O ' ' CB ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -106.07 -2.39 22.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.261 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.729 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 4.4 t 93.87 55.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 108.29 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.03 10.44 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.45 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.2 pt-20 175.2 108.38 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.748 ' HB3' HD22 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.98 112.98 3.69 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.506 1.793 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.412 ' HG2' ' HA2' ' A' ' 8' ' ' GLY . 18.4 Cg_endo -75.05 -39.32 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.511 1.795 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.439 ' O ' ' CB ' ' A' ' 25' ' ' GLN . . . -164.68 114.43 0.6 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.455 1.097 . . . . 0.0 111.044 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.457 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -84.57 126.44 33.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 0.79 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.461 ' HB2' ' CG ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER 179.38 83.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.611 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -46.21 -22.47 0.93 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -49.49 -22.7 1.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 0.812 . . . . 0.0 110.324 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.436 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 16.6 t -133.5 -78.58 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 108.284 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.462 ' CD2' ' N ' ' A' ' 8' ' ' GLY . 7.3 m-85 -94.64 158.76 34.86 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.405 ' C ' ' N ' ' A' ' 26' ' ' ASP . 18.2 Cg_endo -74.98 11.01 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.533 1.807 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.62 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 79.2 mm-40 -46.86 -23.61 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' A' ' 28' ' ' LEU . 23.0 t0 -52.36 -41.31 62.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.424 ' O ' ' OD1' ' A' ' 30' ' ' ASP . 56.2 m95 -44.27 -41.44 5.93 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.94 HD23 ' CB ' ' A' ' 40' ' ' ASP . 3.5 mp -68.35 157.24 36.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER 41.2 80.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 108.307 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.465 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 3.1 p-10 -139.95 -59.2 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 179.16 -39.16 0.08 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 0.5 OUTLIER -127.17 136.12 28.41 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.585 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 32' ' ' HIS . 18.2 Cg_endo -75.04 151.94 39.94 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.532 1.806 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -149.3 31.24 0.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 36' ' ' ASP . 6.8 m -106.13 -173.18 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 108.281 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 35' ' ' CYS . 22.7 t70 -38.54 -55.04 1.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.59 -51.86 2.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 138.67 74.77 0.06 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -129.7 7.04 5.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 110.286 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.94 ' CB ' HD23 ' A' ' 28' ' ' LEU . 1.6 p-10 -75.83 -1.41 25.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.432 ' OE1' ' OD1' ' A' ' 30' ' ' ASP . 7.3 pt-20 -157.26 25.35 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -50.37 -79.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 107.982 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.45 50.13 3.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.538 1.149 . . . . 0.0 110.966 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.417 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 35.6 t . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 174.65 12.41 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.502 1.79 . . . . 0.0 110.973 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 144.73 30.62 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.594 ' O ' ' CE2' ' A' ' 23' ' ' TYR . . . 179.2 81.09 0.06 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -125.83 29.99 5.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.695 ' CD2' ' O ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -67.28 -154.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -112.48 16.27 19.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.238 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.622 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 12.1 t 74.64 55.7 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.133 . . . . 0.0 108.331 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.9 p -142.74 11.82 1.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.01 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.695 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 12.7 pt-20 176.39 114.97 0.13 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.467 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.98 110.47 3.12 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.492 ' HD3' ' O ' ' A' ' 14' ' ' GLU . 18.2 Cg_endo -75.08 -56.51 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.554 1.818 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -131.58 61.9 0.65 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.53 1.144 . . . . 0.0 111.026 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.473 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -42.18 115.87 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.462 ' C ' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 178.8 89.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.539 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -43.89 -21.12 0.18 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.462 ' N ' ' C ' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -39.23 -38.35 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 110.326 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 32.4 t -124.28 -77.22 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 108.295 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.594 ' CE2' ' O ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -89.31 151.7 46.76 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.426 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 18.2 Cg_endo -75.04 27.54 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.455 1.766 . . . . 0.0 110.989 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.513 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 7.6 mt-30 -54.67 -23.08 15.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -52.11 -44.78 64.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.092 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.412 ' O ' ' OD1' ' A' ' 30' ' ' ASP . 34.8 m95 -43.91 -33.78 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 108.015 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.528 HD23 ' CB ' ' A' ' 40' ' ' ASP . 4.3 mp -77.86 150.69 34.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.24 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.421 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 14.6 t 47.82 76.46 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 108.331 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.511 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 1.1 p-10 -136.79 -66.82 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 176.71 -32.66 0.08 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.432 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.6 OUTLIER -116.08 120.06 35.9 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.542 0.789 . . . . 0.0 109.642 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.436 ' N ' ' OE2' ' A' ' 41' ' ' GLU . 18.3 Cg_endo -74.99 125.3 9.24 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.514 1.797 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -145.2 31.35 1.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.6 OUTLIER -100.21 -166.63 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 108.306 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 35' ' ' CYS . 2.4 t0 -38.24 -54.74 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.354 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -119.41 -57.23 2.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 145.51 44.3 0.04 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -111.07 -7.9 14.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.528 ' CB ' HD23 ' A' ' 28' ' ' LEU . 45.1 p-10 -46.16 -29.08 1.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.452 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 3.2 pt-20 -123.19 27.76 7.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 40.7 t90 -51.08 -91.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 108.005 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.15 51.23 3.2 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 13.0 t . . . . . 0 C--N 1.325 -0.489 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.1 p -41.21 154.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 0.73 . . . . 0.0 109.979 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.7 m -89.97 79.36 6.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.025 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.54 137.63 56.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.263 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.9 t 179.49 73.16 0.15 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 108.303 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.593 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 18.2 Cg_endo -74.98 173.96 13.6 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.477 1.777 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.414 ' O ' ' HG2' ' A' ' 16' ' ' PRO . 18.2 Cg_endo -74.95 154.1 42.49 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.478 1.778 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.466 ' HA3' ' CG ' ' A' ' 25' ' ' GLN . . . 177.32 78.07 0.05 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.19 20.32 3.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.716 ' CE2' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -65.11 -158.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.03 16.92 20.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.265 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.696 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 5.6 t 74.85 56.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 108.287 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.8 p -146.35 10.27 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.038 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.508 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.8 pt-20 174.1 109.55 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.272 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.794 ' CB ' HD22 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.04 112.0 3.46 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.477 1.777 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.436 ' HD3' ' O ' ' A' ' 14' ' ' GLU . 18.2 Cg_endo -75.02 -43.78 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.548 1.815 . . . . 0.0 110.95 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -160.05 106.56 0.29 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.499 1.125 . . . . 0.0 111.022 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.459 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -76.67 127.87 33.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.773 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.478 ' HB2' ' CG ' ' A' ' 6' ' ' PRO . 1.6 m-70 179.07 85.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.17 . . . . 0.0 109.633 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.484 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -50.22 -18.3 2.15 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 19' ' ' HIS . 3.6 tp10 -51.33 -27.97 11.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 0.78 . . . . 0.0 110.283 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.1 t -129.57 -78.19 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 108.352 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 6' ' ' PRO . 83.0 m-85 -89.36 159.58 44.15 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 111.045 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.426 ' C ' ' N ' ' A' ' 26' ' ' ASP . 18.0 Cg_endo -75.04 5.56 3.93 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.605 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 45.3 mm-40 -42.39 -25.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.426 ' N ' ' C ' ' A' ' 24' ' ' PRO . 0.3 OUTLIER -47.15 -45.02 22.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.357 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 24.0 m95 -41.73 -48.7 4.26 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.95 HD23 ' CB ' ' A' ' 40' ' ' ASP . 2.6 mp -58.18 151.36 19.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 28' ' ' LEU . 15.6 t 39.38 80.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 108.303 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.518 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -137.88 -51.67 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.246 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.518 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 178.62 -46.0 0.09 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.599 ' CD2' ' O ' ' A' ' 33' ' ' PRO . 28.7 t60 -123.66 142.48 39.27 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.486 0.757 . . . . 0.0 109.593 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.599 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 18.2 Cg_endo -75.04 144.9 30.65 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.474 1.776 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.16 38.24 1.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 36' ' ' ASP . 5.3 m -118.14 -172.53 2.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 108.317 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 35' ' ' CYS . 0.5 OUTLIER -38.99 -63.46 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.09 -49.52 3.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.37 67.1 0.08 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.557 1.161 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -119.95 -5.93 10.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 110.278 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.95 ' CB ' HD23 ' A' ' 28' ' ' LEU . 4.3 p-10 -66.08 -15.22 62.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 1.027 ' OE2' 'CA ' ' A' ' 48' ' ' ' CA' . 0.8 OUTLIER -135.43 18.19 3.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.244 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -51.42 -77.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 108.013 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.33 53.67 3.14 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 32.7 t -147.48 -47.99 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.68 -72.34 0.49 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.8 t -49.1 130.15 18.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 0.771 . . . . 0.0 110.417 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 73.9 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.016 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ' CA' . . . . . 1.027 'CA ' ' OE2' ' A' ' 41' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -117.23 156.46 27.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.988 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.5 p 44.36 90.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.021 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -140.9 173.27 11.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 13.3 t 178.84 74.86 0.14 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 108.237 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.61 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -74.99 174.47 12.73 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.519 1.8 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.418 ' O ' ' HG2' ' A' ' 16' ' ' PRO . 18.2 Cg_endo -75.08 151.65 39.42 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.482 1.78 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.514 ' O ' ' CD2' ' A' ' 23' ' ' TYR . . . 176.37 84.39 0.06 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.459 1.1 . . . . 0.0 110.951 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.04 26.62 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 0.0 110.277 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.722 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -71.56 -158.86 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 111.008 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.59 17.18 19.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.334 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.722 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 7.2 t 75.82 56.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 108.33 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 p -145.35 9.9 1.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.03 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.51 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.8 pt-20 175.06 108.41 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.331 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.618 ' HB3' HD22 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.98 111.64 3.37 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.484 1.781 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.455 ' HD2' ' OE1' ' A' ' 25' ' ' GLN . 18.4 Cg_endo -74.92 -51.85 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.491 1.785 . . . . 0.0 111.016 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -150.05 99.09 0.19 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 111.052 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.602 ' HB1' ' HA ' ' A' ' 26' ' ' ASP . . . -72.95 126.63 30.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 0.773 . . . . 0.0 109.285 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.412 ' C ' ' N ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER 179.26 84.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.625 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -44.44 -23.96 0.57 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.444 1.09 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 19' ' ' HIS . 4.9 tp10 -42.48 -27.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.753 . . . . 0.0 110.332 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.417 ' N ' ' C ' ' A' ' 20' ' ' GLY . 5.2 t -136.75 -74.43 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 108.299 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.61 ' CD1' ' O ' ' A' ' 6' ' ' PRO . 79.2 m-85 -89.54 150.84 45.14 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.404 ' C ' ' N ' ' A' ' 26' ' ' ASP . 18.1 Cg_endo -75.02 7.62 2.79 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.455 ' OE1' ' HD2' ' A' ' 16' ' ' PRO . 47.5 mm-40 -48.06 -22.87 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.602 ' HA ' ' HB1' ' A' ' 18' ' ' ALA . 2.7 t70 -53.25 -39.04 63.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -48.3 -35.27 11.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 107.989 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.811 HD23 ' CB ' ' A' ' 40' ' ' ASP . 5.0 mp -70.64 150.47 45.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.43 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 0.8 OUTLIER 49.22 78.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 108.293 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.484 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 2.4 p-10 -139.64 -62.0 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.74 -35.69 0.08 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.53 1.143 . . . . 0.0 110.97 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.423 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 1.7 m-70 -122.24 129.81 24.95 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.66 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 143.49 29.06 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.52 1.8 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -142.49 35.24 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.408 ' SG ' ' O ' ' A' ' 12' ' ' CYS . 18.0 m -112.44 -174.16 2.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 108.342 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -40.37 -50.35 2.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.16 -55.04 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 140.57 61.61 0.04 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -112.07 -6.68 14.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.767 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.811 ' CB ' HD23 ' A' ' 28' ' ' LEU . 2.5 p-10 -60.78 -14.96 24.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.43 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 5.8 pt-20 -147.79 31.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 45.5 t-105 -51.17 -86.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 108.011 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.66 50.88 3.32 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 0.0 111.0 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.467 ' O ' HG22 ' A' ' 46' ' ' THR . 0.5 OUTLIER -121.12 -39.98 2.65 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.02 98.18 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.531 1.144 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 44' ' ' CYS . 1.5 t -129.05 139.09 52.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.766 . . . . 0.0 110.413 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.006 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.0 p -178.08 126.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 110.036 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m 59.24 74.81 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.988 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.545 ' HB3' ' CD2' ' A' ' 19' ' ' HIS . 0.9 OUTLIER -108.49 156.17 19.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.401 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 32.3 t 179.18 73.83 0.15 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 108.31 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 174.31 13.0 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.502 1.791 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 128.06 11.19 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.449 1.763 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.558 ' O ' ' CD1' ' A' ' 23' ' ' TYR . . . 179.82 80.47 0.06 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.576 1.172 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -126.5 28.49 5.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.643 ' CD2' ' O ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -61.0 -156.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.85 17.32 18.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.636 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 1.9 t 76.25 49.88 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 108.307 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.61 8.71 3.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.974 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.643 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.8 pt-20 176.43 113.81 0.13 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.5 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.01 111.42 3.32 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.47 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.3 Cg_endo -74.97 -65.41 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.469 ' O ' ' NE2' ' A' ' 25' ' ' GLN . . . -141.92 85.25 0.2 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.444 ' HA ' ' CG ' ' A' ' 25' ' ' GLN . . . -42.13 131.5 3.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.545 ' CD2' ' HB3' ' A' ' 4' ' ' ARG . 0.1 OUTLIER 178.85 84.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 109.588 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -57.13 -13.5 9.45 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.67 -16.57 11.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.75 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 9.0 t -142.74 -73.28 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 108.329 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.558 ' CD1' ' O ' ' A' ' 8' ' ' GLY . 21.1 m-85 -88.44 143.57 32.54 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.4 Cg_endo -74.99 6.64 3.26 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.455 1.766 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.548 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -58.24 -12.62 3.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 110.335 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -61.15 -20.32 62.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 24.8 m0 -69.32 -23.48 63.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 107.978 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.653 HD23 ' CB ' ' A' ' 40' ' ' ASP . 5.7 mp -72.04 152.37 42.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.438 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 0.5 OUTLIER 47.04 78.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 108.305 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.492 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 2.2 p-10 -139.91 -62.52 0.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.78 -35.1 0.08 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.422 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 8.1 m-70 -116.79 121.26 33.1 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 109.591 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 112.63 3.6 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.472 1.775 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.22 59.88 1.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.29 -161.49 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 108.308 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.53 -45.64 3.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -132.33 -56.2 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 148.17 46.65 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.9 ptm85 -114.6 -12.12 12.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 0.772 . . . . 0.0 110.267 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.653 ' CB ' HD23 ' A' ' 28' ' ' LEU . 2.3 p-10 -46.02 -27.46 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.438 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 5.2 pt-20 -135.39 36.37 2.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 10.1 t90 -52.3 -89.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 108.008 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.33 52.2 3.38 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.79 -4.55 11.6 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.84 89.8 0.31 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.3 t -123.97 142.12 51.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.758 . . . . 0.0 110.391 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.98 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.95 -46.3 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 109.972 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.87 -67.85 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 110.004 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -147.31 65.81 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.319 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.6 t 178.93 75.26 0.15 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 108.298 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 173.26 14.82 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.496 1.788 . . . . 0.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 131.05 13.99 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.455 1.766 . . . . 0.0 111.043 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.592 ' O ' ' CD1' ' A' ' 23' ' ' TYR . . . 179.03 80.35 0.06 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.64 31.28 5.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.654 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -63.53 -156.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.87 18.01 17.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.654 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 7.7 t 75.38 51.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 108.255 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.1 p -137.66 8.8 2.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.628 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.3 pt-20 176.24 113.43 0.12 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.509 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.97 112.2 3.5 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.504 1.791 . . . . 0.0 110.99 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.47 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.2 Cg_endo -75.05 -66.23 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.488 1.783 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.469 ' O ' ' NE2' ' A' ' 25' ' ' GLN . . . -140.93 87.55 0.19 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.445 1.091 . . . . 0.0 111.016 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -42.41 131.18 3.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.493 ' N ' HE21 ' A' ' 25' ' ' GLN . 0.1 OUTLIER 178.68 86.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.611 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.94 -10.66 20.86 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.122 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -63.96 -11.58 29.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 0.79 . . . . 0.0 110.258 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.5 t -144.01 -74.34 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 108.295 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.592 ' CD1' ' O ' ' A' ' 8' ' ' GLY . 21.9 m-85 -89.63 144.91 32.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -74.93 8.41 2.4 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.523 1.801 . . . . 0.0 110.969 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.561 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -60.28 -10.22 4.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -60.78 -24.0 65.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.298 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 49.8 m95 -65.54 -21.8 66.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 107.974 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.694 HD23 ' CB ' ' A' ' 40' ' ' ASP . 5.5 mp -75.96 151.82 37.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.258 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 49.5 75.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 108.305 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 2.1 p-10 -137.49 -62.42 0.61 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.406 ' C ' ' OE2' ' A' ' 41' ' ' GLU . . . 178.59 -35.87 0.08 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.422 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -120.52 122.76 28.46 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 109.605 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.421 ' HB2' ' CA ' ' A' ' 38' ' ' GLY . 18.3 Cg_endo -74.98 126.7 10.15 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -139.84 49.91 1.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.8 OUTLIER -116.48 -168.25 1.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 108.259 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 35' ' ' CYS . 27.0 t70 -38.15 -51.16 1.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -124.75 -56.96 1.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.421 ' CA ' ' HB2' ' A' ' 33' ' ' PRO . . . 146.16 51.5 0.03 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -114.87 1.76 14.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.694 ' CB ' HD23 ' A' ' 28' ' ' LEU . 1.5 p-10 -64.31 -12.82 45.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.422 ' OE2' ' C ' ' A' ' 32' ' ' HIS . 6.2 pt-20 -147.37 24.42 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -51.98 -77.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 108.043 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.25 45.84 2.89 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.476 1.11 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -118.26 -3.18 11.04 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.33 80.26 0.4 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.5 t -103.69 133.54 48.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 110.364 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.005 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 174.93 -53.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.753 . . . . 0.0 110.049 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.11 86.89 1.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.993 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -158.23 166.91 31.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.423 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 42.1 t 179.18 75.87 0.16 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 108.316 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.73 12.28 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.466 1.771 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 126.14 9.74 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.482 1.78 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.587 ' O ' ' CD2' ' A' ' 23' ' ' TYR . . . 179.87 80.72 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.485 ' CG ' ' OH ' ' A' ' 23' ' ' TYR . 2.1 tt0 -127.18 31.51 5.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 110.291 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.658 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -64.03 -156.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 111.053 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -113.56 17.06 18.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.34 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.658 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 0.5 OUTLIER 76.62 51.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 108.317 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.3 p -137.49 8.62 2.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.977 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.627 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.3 pt-20 176.15 113.39 0.12 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.346 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.548 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.03 111.9 3.43 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.799 . . . . 0.0 110.966 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.482 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.2 Cg_endo -75.02 -64.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.521 1.8 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.57 92.93 0.18 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.428 ' HA ' ' CG ' ' A' ' 25' ' ' GLN . . . -49.09 132.11 19.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.776 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 178.37 85.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.58 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -57.75 -12.87 11.16 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.457 1.098 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER -54.42 -19.78 6.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 0.755 . . . . 0.0 110.293 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.423 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 26.6 t -136.62 -79.44 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 108.318 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.587 ' CD2' ' O ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -89.64 151.76 46.2 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.46 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 18.1 Cg_endo -75.02 13.16 1.07 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.539 1.81 . . . . 0.0 110.957 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.56 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -56.33 -14.95 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.321 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.83 -28.34 68.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 58.7 m95 -58.62 -25.4 62.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 107.997 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.786 HD23 ' CB ' ' A' ' 40' ' ' ASP . 5.0 mp -70.65 147.75 48.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.453 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 0.7 OUTLIER 46.85 73.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 108.301 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.55 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.2 OUTLIER -133.11 -53.02 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.55 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 177.99 -44.74 0.09 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.437 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.2 OUTLIER -117.1 128.65 25.88 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 109.621 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.463 ' HB2' ' CA ' ' A' ' 38' ' ' GLY . 18.4 Cg_endo -75.0 110.1 3.05 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.522 1.801 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -129.73 55.86 1.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -119.94 -165.12 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 108.332 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 35' ' ' CYS . 20.2 t0 -39.48 -50.17 2.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.28 -57.71 1.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.463 ' CA ' ' HB2' ' A' ' 33' ' ' PRO . . . 148.31 44.45 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.453 ' CZ ' ' HB2' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -109.14 -14.85 14.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 0.737 . . . . 0.0 110.344 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.786 ' CB ' HD23 ' A' ' 28' ' ' LEU . 5.0 p-10 -46.06 -26.39 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.453 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 8.1 pt-20 -138.41 34.35 2.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.533 ' CG ' ' N ' ' A' ' 43' ' ' GLY . 2.0 t-105 -50.75 -86.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 108.039 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.533 ' N ' ' CG ' ' A' ' 42' ' ' TRP . . . -77.4 50.86 3.23 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.501 1.125 . . . . 0.0 111.001 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.83 -7.78 12.62 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.97 106.27 1.26 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.512 1.132 . . . . 0.0 111.036 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.9 p -66.21 128.14 34.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 0.779 . . . . 0.0 110.394 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 75.5 m . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 m -41.74 162.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.9 m 56.59 107.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.962 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.1 161.7 2.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.4 t 179.61 74.65 0.16 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 108.283 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 174.11 13.35 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.462 1.77 . . . . 0.0 111.002 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 131.28 14.17 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.555 1.818 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.487 ' CA ' ' HG2' ' A' ' 16' ' ' PRO . . . 178.59 82.06 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -126.9 33.96 4.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.664 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -66.84 -158.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.08 17.6 18.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.664 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 2.0 t 76.87 51.48 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 108.351 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 p -136.9 8.71 3.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.997 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.628 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 12.1 pt-20 175.92 113.77 0.12 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.546 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -75.01 110.53 3.14 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.511 1.795 . . . . 0.0 111.021 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.493 ' HD3' ' O ' ' A' ' 14' ' ' GLU . 18.3 Cg_endo -74.97 -65.29 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -140.58 85.53 0.21 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.125 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.432 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -55.59 132.74 49.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.42 ' C ' ' N ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER 179.01 84.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.122 . . . . 0.0 109.568 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -43.32 -24.12 0.33 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.136 . . . . 0.0 111.045 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.42 ' N ' ' C ' ' A' ' 19' ' ' HIS . 3.0 tp10 -40.96 -29.2 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 0.761 . . . . 0.0 110.29 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.415 ' N ' ' C ' ' A' ' 20' ' ' GLY . 7.3 t -136.24 -74.19 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 108.288 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.601 ' CG ' ' NE2' ' A' ' 25' ' ' GLN . 15.5 m-85 -88.76 148.87 42.61 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 111.043 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.456 ' C ' ' N ' ' A' ' 26' ' ' ASP . 18.1 Cg_endo -75.03 9.59 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.601 ' NE2' ' CG ' ' A' ' 23' ' ' TYR . 13.8 mt-30 -40.74 -26.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.456 ' N ' ' C ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -44.95 -47.08 11.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.401 ' C ' ' O ' ' A' ' 26' ' ' ASP . 47.6 m95 -41.45 -44.31 2.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 107.979 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.774 HD23 ' CB ' ' A' ' 40' ' ' ASP . 4.3 mp -61.57 147.57 45.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.465 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 35.9 t 45.31 75.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 108.291 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.519 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -135.6 -52.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.519 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 178.12 -45.71 0.09 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.554 1.159 . . . . 0.0 110.975 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.42 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -119.14 129.67 25.27 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 109.6 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.72 4.67 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.528 1.804 . . . . 0.0 110.994 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.67 57.6 1.8 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -116.68 -164.09 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 108.304 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 35' ' ' CYS . 19.6 t0 -39.29 -48.48 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -129.87 -53.83 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 147.63 70.22 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -143.13 15.09 1.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.774 ' CB ' HD23 ' A' ' 28' ' ' LEU . 1.9 p-10 -78.76 -1.55 35.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.465 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 10.3 pt-20 -155.72 25.6 0.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.601 ' CG ' ' N ' ' A' ' 43' ' ' GLY . 9.6 p-90 -60.7 -59.11 5.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 108.008 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.601 ' N ' ' CG ' ' A' ' 42' ' ' TRP . . . -78.86 5.12 58.99 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.465 1.103 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.61 -11.88 13.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -67.56 -99.31 0.03 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.1 p 38.95 79.19 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.756 . . . . 0.0 110.424 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 60.2 m . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 110.019 -179.941 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 p -91.28 110.9 22.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.584 0.814 . . . . 0.0 109.948 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 172.91 134.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.04 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.6 ptt-85 -84.04 48.41 1.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.0 t 178.51 74.76 0.13 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 108.29 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 174.62 12.45 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.493 1.786 . . . . 0.0 111.038 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 141.93 27.19 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.505 1.792 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.497 ' HA2' ' CG ' ' A' ' 16' ' ' PRO . . . 178.89 81.26 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.468 1.105 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -123.89 28.87 6.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 110.286 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.721 ' HE2' HD22 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -64.6 -154.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.63 17.28 17.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.628 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 13.4 t 75.38 53.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 108.295 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.8 p -140.75 9.97 2.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.645 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 7.9 pt-20 176.14 113.26 0.12 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.505 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.95 110.65 3.16 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.512 1.796 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.497 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.0 Cg_endo -75.07 -52.48 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.496 1.788 . . . . 0.0 110.959 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . -138.43 59.55 0.6 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.527 1.142 . . . . 0.0 110.957 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.648 ' HB1' ' HA ' ' A' ' 26' ' ' ASP . . . -38.69 118.47 0.75 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.463 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER 179.49 86.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.597 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.448 ' C ' ' N ' ' A' ' 22' ' ' CYS . . . -40.13 -25.49 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 19' ' ' HIS . 2.8 tp10 -39.71 -28.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.761 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.448 ' N ' ' C ' ' A' ' 20' ' ' GLY . 13.4 t -137.75 -68.68 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 108.283 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.461 ' CE1' ' O ' ' A' ' 8' ' ' GLY . 14.1 m-85 -95.1 137.99 22.09 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.173 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -74.99 5.12 4.17 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.512 1.796 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.55 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -55.66 -14.07 2.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.648 ' HA ' ' HB1' ' A' ' 18' ' ' ALA . 1.0 OUTLIER -52.66 -33.46 47.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -54.64 -36.71 64.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 107.951 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.721 HD22 ' HE2' ' A' ' 10' ' ' PHE . 5.3 mp -66.39 151.31 47.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 48.76 79.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 108.283 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.468 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 3.6 p-10 -142.7 -63.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 177.57 -34.41 0.08 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.455 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -119.52 125.89 27.26 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.473 0.749 . . . . 0.0 109.624 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.416 ' HB2' ' CA ' ' A' ' 38' ' ' GLY . 18.2 Cg_endo -75.03 131.49 14.32 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.518 1.799 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -149.8 39.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.57 ' SG ' HD21 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -108.22 -166.37 1.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 108.312 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 35' ' ' CYS . 0.2 OUTLIER -37.53 -53.74 1.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -119.42 -61.3 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.416 ' CA ' ' HB2' ' A' ' 33' ' ' PRO . . . 150.57 44.33 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 111.035 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -112.42 -5.22 14.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 0.0 110.333 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.563 ' CB ' HD23 ' A' ' 28' ' ' LEU . 45.4 p-10 -46.36 -27.97 1.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.455 ' OE2' ' C ' ' A' ' 32' ' ' HIS . 3.9 pt-20 -129.15 37.82 4.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -54.99 -93.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 108.031 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.73 52.15 3.15 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.518 1.136 . . . . 0.0 111.047 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -116.69 -4.48 11.66 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -72.42 115.92 5.57 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 0.0 110.966 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.42 ' O ' HG23 ' A' ' 46' ' ' THR . 5.2 t -138.08 57.84 1.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 0.76 . . . . 0.0 110.423 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.35 165.19 2.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.783 . . . . 0.0 110.02 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.47 -59.75 2.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.02 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.407 ' O ' ' CG ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -148.12 51.79 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 110.29 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.1 t 179.64 72.8 0.16 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 108.308 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.419 ' HG2' ' O ' ' A' ' 17' ' ' GLY . 18.3 Cg_endo -74.95 174.59 12.51 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.467 1.772 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.4 35.22 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.505 1.792 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.5 ' HA2' ' CG ' ' A' ' 16' ' ' PRO . . . 178.59 81.05 0.06 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.8 pm0 -125.95 29.58 5.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.666 ' CE1' ' NE2' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -65.05 -155.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.997 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.45 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -114.9 21.67 14.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 110.296 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.656 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 43.5 t 70.15 57.78 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 108.334 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.8 p -147.03 10.69 1.02 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.614 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 7.9 pt-20 175.2 111.34 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.459 ' HA ' ' OE1' ' A' ' 25' ' ' GLN . 18.1 Cg_endo -75.06 113.14 3.72 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.784 . . . . 0.0 110.959 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.5 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.5 Cg_endo -74.97 -57.42 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 0.0 111.042 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.419 ' O ' ' HG2' ' A' ' 6' ' ' PRO . . . -134.2 59.45 0.67 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.539 1.149 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -42.76 120.26 1.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER 179.33 90.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.591 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 22' ' ' CYS . . . -40.45 -25.34 0.09 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 19' ' ' HIS . 1.2 tt0 -39.49 -29.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 0.787 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 20' ' ' GLY . 13.5 t -136.36 -72.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.289 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.44 ' C ' ' H ' ' A' ' 25' ' ' GLN . 75.5 m-85 -93.19 147.27 33.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -74.98 13.09 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.428 1.751 . . . . 0.0 110.986 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.666 ' NE2' ' CE1' ' A' ' 10' ' ' PHE . 12.7 mm-40 -51.76 -18.43 1.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.283 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' A' ' 26' ' ' ASP . 1.1 t0 -51.42 -43.9 62.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 37.9 m95 -44.83 -36.96 3.52 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.912 HD23 ' CB ' ' A' ' 40' ' ' ASP . 3.6 mp -76.99 157.54 31.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 46.66 75.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 108.289 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.487 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 1.3 p-10 -137.06 -60.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.419 ' C ' ' OE2' ' A' ' 41' ' ' GLU . . . 179.38 -37.55 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 110.971 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.432 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 1.1 m80 -121.77 131.76 24.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 109.575 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 147.95 34.7 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.5 1.789 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.67 45.44 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.441 ' SG ' ' O ' ' A' ' 12' ' ' CYS . 1.1 m -119.84 -169.45 1.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 108.288 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 35' ' ' CYS . 21.5 t70 -37.82 -58.2 0.94 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.19 -58.58 2.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 146.48 43.87 0.04 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.456 1.098 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.1 ptt180 -103.45 -9.25 19.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.752 . . . . 0.0 110.3 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.912 ' CB ' HD23 ' A' ' 28' ' ' LEU . 21.8 p-10 -45.9 -27.36 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.432 ' OE2' ' C ' ' A' ' 32' ' ' HIS . 5.3 pt-20 -138.51 37.27 2.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 63.7 t-105 -51.37 -87.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 107.997 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.24 51.23 3.23 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.524 1.14 . . . . 0.0 111.065 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -117.57 -36.29 3.74 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.08 127.31 15.89 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.4 p -80.38 169.57 17.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.747 . . . . 0.0 110.41 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.7 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.988 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.7 m -98.97 -53.74 3.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 0.752 . . . . 0.0 109.965 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.73 -71.68 0.52 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.98 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -176.44 67.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.422 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 27.0 t 178.49 76.58 0.14 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 108.258 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.66 15.93 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 140.63 25.58 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.475 1.776 . . . . 0.0 110.975 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.616 ' O ' ' CE2' ' A' ' 23' ' ' TYR . . . 179.36 81.06 0.06 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -128.27 27.84 5.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 0.795 . . . . 0.0 110.258 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.653 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -64.36 -158.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.75 18.91 17.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.653 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 6.7 t 74.52 52.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 108.234 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.434 ' O ' ' NE ' ' A' ' 39' ' ' ARG . 20.0 p -137.83 8.59 2.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.618 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.1 pt-20 176.3 113.68 0.12 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.551 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.0 111.94 3.44 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.504 1.791 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.483 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.3 Cg_endo -74.98 -61.37 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -139.92 94.87 0.2 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.481 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -64.87 122.88 18.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 0.722 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.425 ' C ' ' N ' ' A' ' 21' ' ' GLU . 0.5 OUTLIER 179.25 85.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.613 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -44.47 -22.83 0.43 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.132 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.425 ' N ' ' C ' ' A' ' 19' ' ' HIS . 2.8 tp10 -40.75 -30.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 110.305 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.422 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 37.2 t -128.41 -81.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 108.297 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.616 ' CE2' ' O ' ' A' ' 8' ' ' GLY . 0.3 OUTLIER -90.38 154.2 46.49 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.452 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 18.4 Cg_endo -74.92 32.47 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.472 1.775 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.505 ' H ' ' C ' ' A' ' 23' ' ' TYR . 17.1 mt-30 -59.84 -20.62 58.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.85 -38.98 73.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 50.7 m95 -48.01 -30.86 4.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 108.031 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.828 HD23 ' CB ' ' A' ' 40' ' ' ASP . 4.6 mp -77.14 156.65 31.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 44.2 t 42.45 78.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 108.245 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.482 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 1.0 OUTLIER -137.39 -65.19 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 177.38 -33.68 0.08 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.413 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 1.6 t-80 -123.5 126.76 25.74 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.523 0.778 . . . . 0.0 109.596 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.471 ' N ' ' OE2' ' A' ' 41' ' ' GLU . 18.4 Cg_endo -74.98 132.88 15.96 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.536 1.809 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.6 29.82 4.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' A' ' 12' ' ' CYS . 18.0 m -102.6 -174.43 2.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 108.289 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' CYS . 28.3 t70 -39.68 -56.45 1.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -118.43 -47.67 2.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.604 ' O ' ' CZ3' ' A' ' 42' ' ' TRP . . . 134.43 76.54 0.09 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.434 ' NE ' ' O ' ' A' ' 13' ' ' SER . 5.1 ptm85 -132.54 7.06 4.13 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.529 0.782 . . . . 0.0 110.261 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.828 ' CB ' HD23 ' A' ' 28' ' ' LEU . 1.1 p-10 -76.85 -1.48 28.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.471 ' OE2' ' N ' ' A' ' 33' ' ' PRO . 4.0 pt-20 -144.68 16.96 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.296 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.604 ' CZ3' ' O ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -50.8 -79.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.68 50.24 3.22 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.464 1.103 . . . . 0.0 110.952 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 11.4 t -137.35 -47.55 0.57 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.79 102.33 0.05 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.553 1.158 . . . . 0.0 110.956 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 71.8 p -48.23 148.0 2.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 0.735 . . . . 0.0 110.425 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.6 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.062 179.975 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.69 -59.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 0.784 . . . . 0.0 109.967 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.5 t -176.09 93.77 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.057 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.14 174.86 14.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.8 t 179.97 69.93 0.16 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 108.255 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.401 ' HG2' ' O ' ' A' ' 17' ' ' GLY . 18.2 Cg_endo -75.04 174.17 13.26 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 147.18 33.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.481 1.779 . . . . 0.0 110.962 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.485 ' HA2' ' CG ' ' A' ' 16' ' ' PRO . . . 178.14 81.68 0.06 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.97 30.43 6.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.633 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -65.55 -156.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 111.009 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.445 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 2.4 ttm-85 -114.98 20.95 14.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.633 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 42.2 t 72.06 54.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 108.3 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.85 9.39 1.95 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.041 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.625 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 7.8 pt-20 175.68 112.33 0.11 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.477 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.05 111.71 3.39 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.509 1.794 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.485 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.2 Cg_endo -75.01 -56.7 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.478 1.778 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.401 ' O ' ' HG2' ' A' ' 6' ' ' PRO . . . -134.58 56.03 0.72 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.516 1.135 . . . . 0.0 111.045 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.519 ' O ' ' CG ' ' A' ' 19' ' ' HIS . . . -40.45 120.34 1.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 0.738 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.519 ' CG ' ' O ' ' A' ' 18' ' ' ALA . 2.2 m-70 179.09 89.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.601 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.437 ' C ' ' N ' ' A' ' 22' ' ' CYS . . . -38.98 -26.59 0.05 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 19' ' ' HIS . 2.1 tp10 -39.74 -28.98 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 0.759 . . . . 0.0 110.266 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.437 ' N ' ' C ' ' A' ' 20' ' ' GLY . 6.4 t -140.37 -62.05 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 108.328 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -101.64 142.85 25.43 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.439 ' C ' ' N ' ' A' ' 26' ' ' ASP . 18.3 Cg_endo -74.99 9.77 1.92 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.536 1.809 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.538 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 1.1 mt-30 -46.91 -20.61 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.439 ' N ' ' C ' ' A' ' 24' ' ' PRO . 0.2 OUTLIER -47.93 -44.86 30.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -44.78 -39.36 5.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 107.986 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.835 HD23 ' CB ' ' A' ' 40' ' ' ASP . 3.9 mp -77.17 159.11 29.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.421 ' HA ' ' HB3' ' A' ' 41' ' ' GLU . 0.5 OUTLIER 41.81 76.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 108.312 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.507 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.3 OUTLIER -137.48 -50.83 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.507 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 179.13 -47.18 0.09 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.105 . . . . 0.0 111.044 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.435 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -122.39 137.29 27.46 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.747 . . . . 0.0 109.628 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 149.15 36.37 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.463 1.77 . . . . 0.0 111.062 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -164.93 54.56 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.461 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.8 OUTLIER -122.47 -166.49 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 108.305 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.461 ' C ' ' O ' ' A' ' 35' ' ' CYS . 1.1 t70 -36.16 -54.81 0.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.78 -63.87 1.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.524 ' O ' ' CE3' ' A' ' 42' ' ' TRP . . . 153.54 43.41 0.02 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -111.05 -3.42 15.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.835 ' CB ' HD23 ' A' ' 28' ' ' LEU . 24.7 p-10 -47.2 -26.91 1.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.435 ' OE2' ' C ' ' A' ' 32' ' ' HIS . 5.3 pt-20 -140.74 42.64 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.524 ' CE3' ' O ' ' A' ' 38' ' ' GLY . 0.4 OUTLIER -55.88 -76.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 107.969 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.41 45.65 2.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.01 -29.16 7.1 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.0 110.98 0.74 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.467 HG23 ' N ' ' A' ' 47' ' ' SER . 2.9 t -141.25 -53.22 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 0.0 110.42 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.467 ' N ' HG23 ' A' ' 46' ' ' THR . 13.7 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.932 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.52 176.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 0.802 . . . . 0.0 109.997 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -79.67 -56.33 4.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.027 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.474 ' CB ' ' HG2' ' A' ' 21' ' ' GLU . 3.6 ptt180 176.77 43.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.1 t -179.71 74.24 0.18 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 108.294 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 172.9 15.47 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.526 1.803 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 110.17 3.07 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.53 1.805 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.457 ' CA ' ' CG ' ' A' ' 16' ' ' PRO . . . 179.84 80.34 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.444 ' HB2' ' CZ ' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -130.13 147.11 51.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 0.803 . . . . 0.0 110.304 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.725 ' CE2' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -165.75 -157.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.534 ' O ' ' CB ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -116.0 10.7 15.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.268 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.632 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 2.7 t 90.1 55.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 108.329 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.2 p -140.42 6.87 2.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.001 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.654 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 8.2 pt-20 173.79 116.86 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.764 ' CB ' HD22 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.02 112.91 3.67 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.562 1.822 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.457 ' CG ' ' CA ' ' A' ' 8' ' ' GLY . 18.4 Cg_endo -74.99 -63.86 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.428 1.751 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -151.28 105.89 0.3 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.45 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -54.22 124.5 15.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 177.92 84.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.592 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -53.28 -16.68 4.94 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.134 . . . . 0.0 111.053 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.474 ' HG2' ' CB ' ' A' ' 4' ' ' ARG . 1.5 tp10 -40.89 -37.28 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 0.0 110.271 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.0 t -127.83 -76.45 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 108.313 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.483 ' C ' ' H ' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -88.48 151.41 48.25 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.429 ' HB2' ' CD1' ' A' ' 27' ' ' TRP . 18.4 Cg_endo -74.92 37.7 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.587 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 4.6 mt-30 -59.64 -23.28 62.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -64.12 -24.47 67.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.429 ' CD1' ' HB2' ' A' ' 24' ' ' PRO . 23.3 m95 -61.24 -32.62 72.42 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.944 HD23 ' CB ' ' A' ' 40' ' ' ASP . 2.7 mp -72.7 154.78 40.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.432 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 0.8 OUTLIER 39.95 81.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 108.321 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.425 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 3.1 p-10 -137.51 -57.41 0.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 179.47 -40.81 0.08 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 1.2 m170 -126.41 134.48 26.05 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.443 0.731 . . . . 0.0 109.546 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.423 ' HB2' ' CA ' ' A' ' 38' ' ' GLY . 18.3 Cg_endo -74.99 137.06 21.25 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.453 1.765 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.38 33.21 3.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.415 ' SG ' ' O ' ' A' ' 12' ' ' CYS . 24.0 m -107.79 -176.01 2.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 108.303 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -39.93 -55.94 1.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.4 -51.56 2.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.423 ' CA ' ' HB2' ' A' ' 33' ' ' PRO . . . 136.69 68.91 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.549 1.155 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -118.14 -7.95 10.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 110.262 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.944 ' CB ' HD23 ' A' ' 28' ' ' LEU . 2.6 p-10 -61.92 -13.62 26.76 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.432 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 7.3 pt-20 -151.64 34.72 0.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -50.39 -83.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 108.032 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.9 52.0 3.2 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -120.78 -39.61 2.72 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.87 -86.82 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.475 1.109 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 27.9 p 42.75 72.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 0.747 . . . . 0.0 110.367 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.986 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 m 63.48 156.62 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 0.752 . . . . 0.0 109.986 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.7 87.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.059 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.89 144.85 21.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.9 t 179.33 74.84 0.16 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 108.301 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.416 ' HG2' ' O ' ' A' ' 17' ' ' GLY . 18.5 Cg_endo -74.96 175.14 11.62 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.509 1.794 . . . . 0.0 111.062 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 135.75 19.49 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.498 1.788 . . . . 0.0 110.943 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.589 ' O ' ' CE2' ' A' ' 23' ' ' TYR . . . 179.22 80.76 0.06 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.48 1.113 . . . . 0.0 110.966 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -125.11 34.32 4.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 110.297 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.653 ' CD2' ' O ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -67.27 -154.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 111.015 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.446 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -115.56 20.13 14.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.639 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 42.9 t 72.59 54.66 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 108.333 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.5 p -141.71 9.35 1.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.986 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.653 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 10.5 pt-20 175.79 113.11 0.11 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.463 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.05 111.63 3.37 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.487 ' HG2' ' CA ' ' A' ' 8' ' ' GLY . 18.1 Cg_endo -75.03 -59.49 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 0.0 110.954 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.416 ' O ' ' HG2' ' A' ' 6' ' ' PRO . . . -137.83 64.44 0.56 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.442 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -41.69 126.93 3.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.756 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.461 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER 179.34 87.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.626 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -41.1 -24.62 0.1 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 110.961 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -39.78 -32.52 0.15 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 0.774 . . . . 0.0 110.286 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.9 t -132.77 -74.34 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 108.324 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.589 ' CE2' ' O ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -90.11 149.15 40.96 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.426 ' C ' ' N ' ' A' ' 26' ' ' ASP . 18.2 Cg_endo -75.02 11.74 1.38 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.504 1.792 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.577 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 7.7 mt-30 -44.12 -23.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.428 ' O ' ' O ' ' A' ' 28' ' ' LEU . 0.4 OUTLIER -49.91 -45.15 50.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 13.3 m0 -43.83 -37.23 2.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 108.05 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.845 HD23 ' CB ' ' A' ' 40' ' ' ASP . 3.7 mp -77.41 156.07 31.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.433 ' HA ' ' HB3' ' A' ' 41' ' ' GLU . 0.5 OUTLIER 44.65 77.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 108.295 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.492 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.7 OUTLIER -136.37 -51.55 0.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.492 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 179.1 -46.66 0.09 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.438 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -118.85 132.45 23.9 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 0.788 . . . . 0.0 109.585 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 135.3 18.84 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.515 1.797 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -157.02 70.37 0.62 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.442 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -133.34 -164.4 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 108.336 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 35' ' ' CYS . 27.9 t0 -37.31 -46.57 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.09 -63.39 1.01 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 155.16 42.87 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.409 ' C ' ' N ' ' A' ' 41' ' ' GLU . 13.1 ptm180 -111.64 -7.04 14.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.757 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.845 ' CB ' HD23 ' A' ' 28' ' ' LEU . 24.1 p-10 -45.92 -27.09 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.244 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.438 ' OE2' ' C ' ' A' ' 32' ' ' HIS . 6.0 pt-20 -143.55 44.5 1.51 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 110.309 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -53.65 -81.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 108.045 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.07 48.77 3.39 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.405 ' CB ' ' HB2' ' A' ' 41' ' ' GLU . 0.5 OUTLIER -112.76 -27.96 7.95 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.7 152.22 3.71 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.144 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.8 p -114.78 150.37 35.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 0.728 . . . . 0.0 110.408 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.01 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.59 15.04 1.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 0.799 . . . . 0.0 109.999 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m 64.33 88.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.012 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.453 ' N ' ' OE2' ' A' ' 21' ' ' GLU . 1.6 mmt-85 -135.71 -177.4 4.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 37.3 t 178.83 74.19 0.14 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 108.295 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.56 ' HG3' ' CD2' ' A' ' 19' ' ' HIS . 18.3 Cg_endo -75.02 156.36 42.9 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.447 1.762 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 6' ' ' PRO . 18.3 Cg_endo -74.98 118.57 5.32 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.461 1.769 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.413 ' HA3' ' OE1' ' A' ' 25' ' ' GLN . . . 178.01 83.18 0.06 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.465 1.103 . . . . 0.0 110.963 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.566 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 4.7 pm0 -121.94 152.21 39.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 110.295 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.764 ' CZ ' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -166.03 -158.16 0.33 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.464 ' O ' ' CB ' ' A' ' 12' ' ' CYS . 3.1 ttt180 -113.96 12.17 17.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.662 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 5.2 t 85.58 56.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 108.246 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.4 p -142.61 7.82 1.71 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.655 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 12.8 pt-20 174.15 116.99 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.801 ' CB ' HD22 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.05 112.99 3.69 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.497 1.788 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -70.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 0.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -141.85 101.16 0.27 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.63 126.15 9.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 0.734 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.56 ' CD2' ' HG3' ' A' ' 6' ' ' PRO . 0.9 OUTLIER 178.06 85.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.575 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -68.25 -1.57 21.46 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.453 ' OE2' ' N ' ' A' ' 4' ' ' ARG . 0.5 OUTLIER -70.46 -11.04 60.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 110.335 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.0 t -141.7 -78.9 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.133 . . . . 0.0 108.298 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.566 ' CE1' ' HB3' ' A' ' 9' ' ' GLN . 23.9 m-85 -88.19 167.0 20.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.403 ' O ' ' N ' ' A' ' 27' ' ' TRP . 18.4 Cg_endo -74.98 12.64 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.504 1.792 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.602 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 12.7 mt-30 -45.14 -37.42 4.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -53.07 -42.37 65.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 109.322 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.403 ' N ' ' O ' ' A' ' 24' ' ' PRO . 41.7 m95 -42.16 -44.57 3.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.164 . . . . 0.0 108.002 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.969 HD23 ' CB ' ' A' ' 40' ' ' ASP . 2.2 mp -64.6 152.8 41.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 28' ' ' LEU . 53.5 t 40.71 81.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 108.301 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.457 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.4 OUTLIER -136.57 -48.07 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.457 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 179.55 -49.7 0.09 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.506 1.128 . . . . 0.0 111.042 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.402 ' O ' ' CD ' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -127.01 153.44 76.48 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 0.762 . . . . 0.0 109.617 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 161.79 38.29 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.473 1.775 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -167.33 32.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 36' ' ' ASP . 5.3 m -113.98 -172.51 2.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 108.272 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 35' ' ' CYS . 0.5 OUTLIER -39.02 -57.93 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.01 -50.45 2.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.17 55.4 0.1 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.556 1.16 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -109.03 -15.07 14.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 0.0 110.328 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.969 ' CB ' HD23 ' A' ' 28' ' ' LEU . 4.9 p-10 -52.63 -21.4 3.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.275 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.936 ' OE2' 'CA ' ' A' ' 48' ' ' ' CA' . 0.8 OUTLIER -134.89 31.01 3.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 58.3 t-105 -51.6 -88.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 108.019 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.33 55.6 2.82 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 49.1 t -150.02 -47.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -53.02 118.24 7.87 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.2 p -68.39 -29.34 68.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 0.729 . . . . 0.0 110.403 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.5 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.013 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ' CA' . . . . . 0.936 'CA ' ' OE2' ' A' ' 41' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -106.11 -41.83 5.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 0.722 . . . . 0.0 109.975 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -133.3 -93.7 0.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.162 . . . . 0.0 109.978 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.464 ' HB3' ' CG ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -150.59 55.36 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.343 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.43 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 40.7 t 178.46 77.85 0.15 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 108.28 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 174.89 12.02 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.481 1.78 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 124.72 8.85 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.434 1.755 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.593 ' O ' ' CD2' ' A' ' 23' ' ' TYR . . . -177.09 79.5 0.07 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.543 ' HG3' ' CE1' ' A' ' 23' ' ' TYR . 1.4 tt0 -127.66 33.46 4.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 0.76 . . . . 0.0 110.249 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.693 ' HZ ' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -66.17 -158.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.51 17.49 19.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.102 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.646 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 2.8 t 76.71 52.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 108.275 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.5 p -138.64 9.0 2.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.951 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.622 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.2 pt-20 176.2 113.41 0.12 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.309 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.627 ' CB ' HD22 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -75.0 111.16 3.26 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.492 1.785 . . . . 0.0 111.048 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.474 ' HD3' ' O ' ' A' ' 14' ' ' GLU . 18.2 Cg_endo -75.02 -62.34 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.535 1.808 . . . . 0.0 110.985 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -141.91 96.21 0.2 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.476 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -57.58 125.75 24.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 0.772 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 178.43 85.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.627 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.446 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -50.08 -18.99 2.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.464 ' CG ' ' HB3' ' A' ' 4' ' ' ARG . 2.4 tp10 -41.11 -37.46 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 110.312 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.43 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 38.1 t -123.02 -79.99 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 108.274 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CD2' ' O ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -89.31 155.42 49.0 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.57 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 18.2 Cg_endo -75.04 34.06 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.783 . . . . 0.0 110.98 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.505 ' H ' ' C ' ' A' ' 23' ' ' TYR . 8.2 mt-30 -58.5 -21.51 52.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.39 -41.2 93.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -45.27 -31.09 1.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 108.02 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.808 HD23 ' CB ' ' A' ' 40' ' ' ASP . 4.6 mp -77.51 151.69 34.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.459 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 47.4 t 43.32 73.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 108.33 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.53 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.3 OUTLIER -132.33 -53.04 0.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.53 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 177.17 -45.09 0.1 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.442 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 13.5 t60 -119.84 127.84 26.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 109.649 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.464 ' HB2' ' CA ' ' A' ' 38' ' ' GLY . 18.3 Cg_endo -74.99 114.46 4.03 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.463 1.77 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -127.27 54.31 1.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.7 OUTLIER -114.73 -167.8 1.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 108.301 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 35' ' ' CYS . 22.1 t70 -40.01 -51.39 2.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -124.36 -48.45 1.83 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.464 ' CA ' ' HB2' ' A' ' 33' ' ' PRO . . . 136.97 69.62 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.546 1.154 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -137.65 10.92 2.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.808 ' CB ' HD23 ' A' ' 28' ' ' LEU . 2.0 p-10 -75.72 -2.32 29.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.459 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 7.8 pt-20 -154.67 26.14 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -50.28 -80.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 108.001 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.99 46.64 2.98 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 36.7 t -123.02 -42.37 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.04 -65.33 2.53 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 61.6 p 40.54 74.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.773 . . . . 0.0 110.397 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.973 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -42.87 164.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.786 . . . . 0.0 110.04 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -48.93 -26.72 2.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.977 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -116.38 68.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.435 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 26.0 t 178.41 75.96 0.14 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 108.361 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 171.62 17.96 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.471 1.774 . . . . 0.0 110.974 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 141.66 26.72 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.618 ' O ' ' CE2' ' A' ' 23' ' ' TYR . . . 178.68 82.11 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.69 31.05 5.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.654 ' HZ ' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -65.85 -158.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 111.023 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.66 18.62 17.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.642 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 4.9 t 75.97 52.56 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 108.314 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.4 p -137.81 8.44 2.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.996 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.618 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.7 pt-20 175.92 113.79 0.12 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 110.339 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.587 ' CB ' HD22 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.95 110.98 3.22 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.463 1.77 . . . . 0.0 110.977 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.483 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.4 Cg_endo -74.97 -60.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.524 1.802 . . . . 0.0 111.027 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -139.14 94.44 0.2 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.117 . . . . 0.0 110.944 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.484 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -68.66 122.17 17.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 0.732 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 178.81 86.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.603 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.476 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -41.83 -23.96 0.15 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.461 1.101 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 19' ' ' HIS . 4.0 tp10 -40.75 -29.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 0.786 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.435 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 44.5 t -130.02 -82.3 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 108.303 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.618 ' CE2' ' O ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -88.71 159.15 46.91 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 111.008 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.562 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -74.99 13.39 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.461 1.769 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.484 ' CB ' ' HA ' ' A' ' 18' ' ' ALA . 15.6 mt-30 -41.75 -26.96 0.09 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 110.261 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -47.26 -47.4 24.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.427 ' C ' ' O ' ' A' ' 26' ' ' ASP . 16.4 m0 -40.49 -44.56 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 107.968 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.81 HD23 ' CB ' ' A' ' 40' ' ' ASP . 4.3 mp -63.41 146.91 52.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.45 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 52.5 t 43.86 75.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 108.303 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.531 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -134.56 -52.33 0.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.531 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 178.21 -46.15 0.09 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.532 1.145 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.437 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -124.44 138.14 30.51 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 0.744 . . . . 0.0 109.587 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.43 ' N ' ' OE2' ' A' ' 41' ' ' GLU . 18.2 Cg_endo -75.04 145.03 30.82 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.781 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.74 26.76 1.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.42 ' SG ' ' O ' ' A' ' 12' ' ' CYS . 9.6 m -98.23 -173.26 2.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 108.274 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -39.55 -51.96 2.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.9 -51.9 2.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.414 ' CA ' ' HB2' ' A' ' 33' ' ' PRO . . . 138.88 74.22 0.05 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -132.1 7.38 4.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.581 0.813 . . . . 0.0 110.286 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.81 ' CB ' HD23 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -76.07 -1.98 28.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.45 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 8.3 pt-20 -151.7 25.05 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.497 ' CG ' ' N ' ' A' ' 43' ' ' GLY . 3.4 t90 -50.33 -83.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.497 ' N ' ' CG ' ' A' ' 42' ' ' TRP . . . -78.08 48.5 3.05 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 18.8 t -122.59 -42.48 2.32 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.03 101.27 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.0 t -115.21 142.06 47.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 0.745 . . . . 0.0 110.41 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.8 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.32 13.42 5.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 0.75 . . . . 0.0 110.011 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.75 -59.81 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.969 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.5 ' HG2' ' CE1' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -104.05 107.06 17.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 110.296 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.412 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 14.6 t 178.79 76.6 0.15 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 108.259 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.479 ' CG ' ' HB2' ' A' ' 19' ' ' HIS . 18.2 Cg_endo -75.02 174.94 11.93 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.518 1.799 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.435 ' O ' ' HG2' ' A' ' 16' ' ' PRO . 18.3 Cg_endo -75.01 151.64 39.73 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.782 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 176.59 79.52 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.483 1.115 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -132.24 21.03 4.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 0.796 . . . . 0.0 110.334 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.66 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -67.44 -156.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.417 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -115.32 19.31 15.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.66 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 34.9 t 73.52 55.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 108.297 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.7 p -144.57 9.23 1.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.007 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.533 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 7.7 pt-20 174.39 108.94 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.476 ' HG3' ' HB3' ' A' ' 28' ' ' LEU . 18.5 Cg_endo -74.98 111.69 3.39 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.441 ' HD3' ' O ' ' A' ' 14' ' ' GLU . 18.4 Cg_endo -74.96 -42.87 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.535 1.808 . . . . 0.0 111.051 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -158.27 99.0 0.18 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.122 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.631 ' HB1' ' HA ' ' A' ' 26' ' ' ASP . . . -71.69 129.43 38.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 0.746 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.5 ' CE1' ' HG2' ' A' ' 4' ' ' ARG . 0.1 OUTLIER 179.16 86.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.613 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -48.7 -20.65 1.82 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -48.41 -23.32 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 0.79 . . . . 0.0 110.289 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.412 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 10.2 t -137.17 -76.46 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 108.299 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.443 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 15.4 m-85 -92.76 157.11 40.2 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.42 ' C ' ' N ' ' A' ' 26' ' ' ASP . 18.2 Cg_endo -75.04 7.6 2.81 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.496 1.787 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.559 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 22.4 mm-40 -45.76 -23.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.631 ' HA ' ' HB1' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -55.69 -46.02 77.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.261 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' ASP . 21.5 m95 -41.07 -37.42 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 108.008 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.966 HD23 ' CB ' ' A' ' 40' ' ' ASP . 2.5 mp -77.97 149.97 34.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.408 ' HA ' ' HB3' ' A' ' 41' ' ' GLU . 0.5 OUTLIER 52.32 71.32 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 108.315 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.531 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.3 OUTLIER -134.15 -52.16 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.531 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 178.71 -45.89 0.09 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.514 1.134 . . . . 0.0 111.044 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.447 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -119.73 135.08 23.97 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.513 0.772 . . . . 0.0 109.584 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 151.23 39.12 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.523 1.801 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -159.12 47.71 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.425 ' SG ' ' O ' ' A' ' 12' ' ' CYS . 0.8 OUTLIER -120.13 -169.15 1.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 108.284 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 35' ' ' CYS . 2.0 t70 -38.86 -56.83 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -114.72 -60.64 1.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 148.35 43.67 0.03 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -102.43 -10.96 18.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.966 ' CB ' HD23 ' A' ' 28' ' ' LEU . 19.9 p-10 -45.79 -27.36 0.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.447 ' OE2' ' C ' ' A' ' 32' ' ' HIS . 7.1 pt-20 -140.33 38.26 1.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 61.6 t-105 -50.89 -84.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 107.957 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.78 48.32 3.23 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -115.89 -6.19 12.04 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.54 96.14 0.14 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.3 t -126.44 142.18 51.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 0.777 . . . . 0.0 110.4 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.52 -73.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 109.988 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.1 m -71.79 75.86 0.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.982 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -93.75 154.45 17.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.415 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 44.4 t 179.2 76.25 0.16 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 108.328 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 174.27 13.08 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.492 1.785 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 127.01 10.37 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.505 1.792 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.495 ' CA ' ' HG2' ' A' ' 16' ' ' PRO . . . 178.3 81.67 0.06 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.447 1.092 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -126.07 35.9 4.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.757 . . . . 0.0 110.331 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.654 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -68.71 -158.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.447 1.092 . . . . 0.0 110.973 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.2 17.31 18.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.654 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 5.7 t 77.45 53.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 108.269 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.7 p -139.16 8.64 2.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.002 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.592 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 13.1 pt-20 175.3 112.32 0.1 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.559 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.0 110.98 3.22 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 111.0 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.495 ' HG2' ' CA ' ' A' ' 8' ' ' GLY . 18.4 Cg_endo -75.03 -62.92 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.462 1.769 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.72 89.37 0.17 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.01 134.34 13.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.787 . . . . 0.0 109.329 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 179.06 87.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.63 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.466 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -58.52 -11.76 11.17 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.528 1.142 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -55.89 -30.92 62.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 0.771 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 17.7 t -125.52 -77.4 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.122 . . . . 0.0 108.32 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.467 ' CD2' ' O ' ' A' ' 8' ' ' GLY . 7.4 m-85 -89.03 158.31 47.19 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 14.0 0.93 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.506 1.793 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.449 ' CD ' ' HA3' ' A' ' 8' ' ' GLY . 1.7 mt-30 -46.64 -25.57 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.333 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -52.81 -42.7 65.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 44.7 m95 -45.87 -34.21 3.69 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.823 HD23 ' CB ' ' A' ' 40' ' ' ASP . 4.7 mp -77.18 156.84 31.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 45.72 72.25 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 108.35 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.482 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.4 OUTLIER -131.93 -49.3 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.482 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 179.14 -49.24 0.09 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -126.89 144.76 51.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 109.614 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.425 ' HA ' ' OE2' ' A' ' 41' ' ' GLU . 18.3 Cg_endo -75.05 154.89 42.59 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.453 1.765 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -168.96 33.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -94.13 -164.87 1.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 108.293 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' CYS . 0.3 OUTLIER -39.59 -51.4 2.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -116.44 -61.9 1.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 150.77 60.6 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -134.96 18.75 3.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 110.276 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.823 ' CB ' HD23 ' A' ' 28' ' ' LEU . 5.6 p-10 -80.53 2.24 26.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.443 ' OE2' ' OD2' ' A' ' 40' ' ' ASP . 0.1 OUTLIER -163.73 38.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 41.3 t-105 -51.53 -90.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 108.027 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.07 46.56 2.98 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.445 1.09 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 46' ' ' THR . 13.8 t -115.6 -34.58 4.82 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.0 92.36 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.101 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 44' ' ' CYS . 13.7 t -108.82 131.93 54.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 0.0 110.345 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.02 162.06 15.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 109.974 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.06 64.28 8.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.994 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? 39.59 48.76 1.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 23.1 t 179.31 74.14 0.15 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 108.293 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.419 ' HG2' ' O ' ' A' ' 17' ' ' GLY . 18.2 Cg_endo -75.01 174.82 12.13 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 141.39 26.65 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.515 1.797 . . . . 0.0 110.998 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.494 ' HA2' ' CG ' ' A' ' 16' ' ' PRO . . . 178.91 81.05 0.06 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.138 . . . . 0.0 111.022 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -123.29 27.34 7.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 0.783 . . . . 0.0 110.263 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.715 ' HE2' HD22 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -62.98 -154.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.963 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.94 18.71 16.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.618 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 19.3 t 73.88 53.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 108.312 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.9 t -140.4 9.72 2.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.992 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.653 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.5 pt-20 176.33 113.53 0.12 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.269 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.497 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.06 110.48 3.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.494 ' CG ' ' HA2' ' A' ' 8' ' ' GLY . 18.3 Cg_endo -74.97 -52.3 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.457 1.767 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.448 ' O ' ' NE2' ' A' ' 25' ' ' GLN . . . -138.59 59.51 0.6 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.12 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.566 ' HB1' ' HA ' ' A' ' 26' ' ' ASP . . . -38.52 118.73 0.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 0.765 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.472 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER 179.48 86.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.636 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 22' ' ' CYS . . . -40.26 -25.34 0.08 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 19' ' ' HIS . 3.0 tp10 -39.48 -28.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 0.733 . . . . 0.0 110.331 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' GLY . 11.4 t -138.35 -71.48 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 108.326 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.417 ' HB2' ' NE2' ' A' ' 25' ' ' GLN . 9.7 m-85 -90.66 137.71 26.97 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 111.049 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.599 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 18.4 Cg_endo -74.95 3.5 5.54 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.447 1.762 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.529 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -53.23 -15.99 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.566 ' HA ' ' HB1' ' A' ' 18' ' ' ALA . 0.8 OUTLIER -47.87 -42.17 25.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 24' ' ' PRO . 51.3 m95 -45.84 -42.72 12.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 108.0 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.715 HD22 ' HE2' ' A' ' 10' ' ' PHE . 5.2 mp -61.77 149.36 40.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.47 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 0.8 OUTLIER 43.76 74.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 108.306 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.539 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -135.7 -52.6 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.539 ' N ' ' CG ' ' A' ' 30' ' ' ASP . . . 178.31 -45.41 0.09 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.425 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.8 OUTLIER -115.4 135.14 22.54 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.538 0.787 . . . . 0.0 109.639 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 127.1 10.38 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.504 1.792 . . . . 0.0 110.97 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -155.82 69.83 0.68 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.6 ' SG ' HD21 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -134.79 -162.75 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 108.324 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 35' ' ' CYS . 12.5 t70 -37.62 -49.11 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -126.58 -59.45 1.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 151.74 44.0 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.563 1.164 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.578 ' HB3' ' CE3' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -116.63 -3.76 11.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.774 . . . . 0.0 110.332 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.582 ' CB ' HD23 ' A' ' 28' ' ' LEU . 37.7 p-10 -46.09 -28.91 1.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.47 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 5.2 pt-20 -138.06 39.9 2.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.25 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.578 ' CE3' ' HB3' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -51.61 -83.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 107.998 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.51 45.85 2.95 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.467 1.104 . . . . 0.0 111.041 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.65 -21.88 11.48 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.32 99.04 0.03 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.452 1.095 . . . . 0.0 111.022 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.2 t -124.36 138.87 54.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.787 . . . . 0.0 110.389 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.026 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 p -150.97 109.1 3.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 0.765 . . . . 0.0 109.953 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -143.94 58.78 1.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.013 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 42.1 58.25 2.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.436 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 4.0 t 178.72 76.1 0.15 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 108.308 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.461 ' CG ' ' HB2' ' A' ' 19' ' ' HIS . 18.4 Cg_endo -75.03 174.88 12.02 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.484 1.781 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 151.68 39.98 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.457 1.767 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.494 ' HA3' ' CG ' ' A' ' 25' ' ' GLN . . . 178.57 81.29 0.06 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -141.82 22.36 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 0.788 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.729 ' CZ ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -67.58 -159.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.578 ' O ' ' CB ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -106.07 -2.39 22.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.261 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.729 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 4.4 t 93.87 55.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 108.29 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.03 10.44 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.45 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.2 pt-20 175.2 108.38 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.748 ' HB3' HD22 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.98 112.98 3.69 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.506 1.793 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.412 ' HG2' ' HA2' ' A' ' 8' ' ' GLY . 18.4 Cg_endo -75.05 -39.32 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.511 1.795 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.439 ' O ' ' CB ' ' A' ' 25' ' ' GLN . . . -164.68 114.43 0.6 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.455 1.097 . . . . 0.0 111.044 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.457 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -84.57 126.44 33.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 0.79 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.461 ' HB2' ' CG ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER 179.38 83.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.611 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -46.21 -22.47 0.93 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -49.49 -22.7 1.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 0.812 . . . . 0.0 110.324 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.436 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 16.6 t -133.5 -78.58 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 108.284 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.462 ' CD2' ' N ' ' A' ' 8' ' ' GLY . 7.3 m-85 -94.64 158.76 34.86 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.405 ' C ' ' N ' ' A' ' 26' ' ' ASP . 18.2 Cg_endo -74.98 11.01 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.533 1.807 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.62 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 79.2 mm-40 -46.86 -23.61 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' A' ' 28' ' ' LEU . 23.0 t0 -52.36 -41.31 62.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 56.2 m95 -44.27 -41.44 5.93 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.94 HD23 ' CB ' ' A' ' 40' ' ' ASP . 3.5 mp -68.35 157.24 36.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER 41.2 80.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 108.307 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.465 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 3.1 p-10 -139.95 -59.2 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 179.16 -39.16 0.08 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 0.5 OUTLIER -127.17 136.12 28.41 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.585 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 32' ' ' HIS . 18.2 Cg_endo -75.04 151.94 39.94 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.532 1.806 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -149.3 31.24 0.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 36' ' ' ASP . 6.8 m -106.13 -173.18 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 108.281 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 35' ' ' CYS . 22.7 t70 -38.54 -55.04 1.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.59 -51.86 2.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 138.67 74.77 0.06 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -129.7 7.04 5.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 110.286 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.94 ' CB ' HD23 ' A' ' 28' ' ' LEU . 1.6 p-10 -75.83 -1.41 25.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.421 ' OE2' ' C ' ' A' ' 32' ' ' HIS . 7.3 pt-20 -157.26 25.35 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -50.37 -79.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 107.982 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.45 50.13 3.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.538 1.149 . . . . 0.0 110.966 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -123.35 -42.22 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.97 101.75 0.04 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.1 t -128.29 63.92 1.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 0.754 . . . . 0.0 110.406 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.0 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.005 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -169.53 -50.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 109.969 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 t -126.49 -46.28 1.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.968 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.441 ' CG ' ' O ' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -88.5 53.05 2.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.417 ' HA ' ' HB2' ' A' ' 22' ' ' CYS . 35.6 t 178.62 75.55 0.14 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 108.317 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 174.65 12.41 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.502 1.79 . . . . 0.0 110.973 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 144.73 30.62 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.594 ' O ' ' CE2' ' A' ' 23' ' ' TYR . . . 179.2 81.09 0.06 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -125.83 29.99 5.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.695 ' CD2' ' O ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -67.28 -154.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -112.48 16.27 19.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.238 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.622 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 12.1 t 74.64 55.7 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.133 . . . . 0.0 108.331 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.9 p -142.74 11.82 1.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.01 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.695 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 12.7 pt-20 176.39 114.97 0.13 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.467 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.98 110.47 3.12 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.492 ' HD3' ' O ' ' A' ' 14' ' ' GLU . 18.2 Cg_endo -75.08 -56.51 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.554 1.818 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -131.58 61.9 0.65 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.53 1.144 . . . . 0.0 111.026 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.473 ' HA ' ' CB ' ' A' ' 25' ' ' GLN . . . -42.18 115.87 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.462 ' C ' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 178.8 89.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.539 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 23' ' ' TYR . . . -43.89 -21.12 0.18 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.462 ' N ' ' C ' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -39.23 -38.35 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 110.326 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 32.4 t -124.28 -77.22 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 108.295 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.594 ' CE2' ' O ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -89.31 151.7 46.76 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.426 ' HD2' ' CD2' ' A' ' 23' ' ' TYR . 18.2 Cg_endo -75.04 27.54 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.455 1.766 . . . . 0.0 110.989 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.513 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 7.6 mt-30 -54.67 -23.08 15.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -52.11 -44.78 64.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.092 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -43.91 -33.78 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 108.015 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.528 HD23 ' CB ' ' A' ' 40' ' ' ASP . 4.3 mp -77.86 150.69 34.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.24 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.421 ' HA ' ' CB ' ' A' ' 41' ' ' GLU . 14.6 t 47.82 76.46 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 108.331 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.511 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 1.1 p-10 -136.79 -66.82 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 176.71 -32.66 0.08 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.432 ' C ' ' OE2' ' A' ' 41' ' ' GLU . 0.6 OUTLIER -116.08 120.06 35.9 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.542 0.789 . . . . 0.0 109.642 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.436 ' N ' ' OE2' ' A' ' 41' ' ' GLU . 18.3 Cg_endo -74.99 125.3 9.24 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.514 1.797 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -145.2 31.35 1.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.6 OUTLIER -100.21 -166.63 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 108.306 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 35' ' ' CYS . 2.4 t0 -38.24 -54.74 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.354 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -119.41 -57.23 2.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 145.51 44.3 0.04 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -111.07 -7.9 14.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.528 ' CB ' HD23 ' A' ' 28' ' ' LEU . 45.1 p-10 -46.16 -29.08 1.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.452 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 3.2 pt-20 -123.19 27.76 7.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 40.7 t90 -51.08 -91.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 108.005 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.15 51.23 3.2 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 13.0 t -129.97 -45.73 1.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.93 143.92 10.66 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.125 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.3 p -102.52 109.93 21.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 0.727 . . . . 0.0 110.404 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.011 179.973 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_