data_1wi3_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 1wi3 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.539 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -36.12 -83.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.539 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -28.65 -59.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.491 HD12 ' CE2' ' A' ' 55' ' ' PHE . 2.4 tp -48.61 -61.82 1.83 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -46.56 -51.12 12.91 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.594 1.184 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 37.2 mt -45.82 -75.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.453 ' HB2' ' CD2' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -45.9 -36.51 5.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -55.47 -42.7 74.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.2 t -61.24 -42.32 98.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.998 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.591 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -65.68 -29.4 69.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.565 HG12 ' CZ ' ' A' ' 56' ' ' PHE . 71.4 mt -68.55 -44.64 82.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -10.59 59.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.598 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -93.47 -54.99 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.568 HG21 ' CE1' ' A' ' 25' ' ' PHE . 3.0 m -78.87 -48.77 21.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.446 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 133.02 -113.51 1.25 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 46.5 mt -144.76 46.02 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.268 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -148.18 70.26 10.88 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 111.036 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.569 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.96 139.8 24.83 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.516 1.798 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.415 ' C ' ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -97.59 156.8 16.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -43.54 -26.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -78.63 -46.85 18.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.485 ' HB1' ' CZ ' ' A' ' 25' ' ' PHE . . . -60.19 -43.59 95.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.7 mt -60.65 -43.05 94.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -41.06 81.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.58 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.4 m -67.63 -37.0 81.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.403 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.453 ' CD2' ' HB2' ' A' ' 22' ' ' LEU . 97.0 mt -70.41 -37.85 74.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.47 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 2.2 t -73.74 -15.21 61.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.99 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.77 -67.56 0.84 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -41.59 -44.4 3.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.284 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 10.9 mt -91.1 -28.96 17.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 0.5 OUTLIER 81.14 22.3 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.454 ' O ' ' CB ' ' A' ' 42' ' ' SER . 14.0 mt -95.75 163.29 21.6 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.556 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.3 Cg_endo -75.02 160.07 40.55 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -63.64 -53.08 57.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.556 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.1 p-80 -48.88 -47.25 43.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.606 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -54.88 -60.73 2.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.373 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 42' ' ' SER . 3.9 mt -53.97 -48.44 63.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 96.3 mt -56.46 -60.66 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.85 -68.89 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.491 ' CE2' HD12 ' A' ' 19' ' ' LEU . 0.8 OUTLIER -37.33 -55.55 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.569 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 0.8 OUTLIER -49.98 -53.74 24.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.269 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.546 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.9 OUTLIER -36.25 -83.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.339 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.546 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -28.07 -63.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.508 ' CD1' ' CE2' ' A' ' 55' ' ' PHE . 2.4 tp -43.71 -62.59 1.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -55.03 -42.54 81.36 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.562 1.164 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.7 mt -53.96 -46.74 65.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 0.783 . . . . 0.0 109.353 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.05 -35.39 61.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -51.03 71.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.239 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.1 t -51.02 -40.69 58.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.586 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -67.29 -30.41 70.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 110.965 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.501 HG12 ' CE1' ' A' ' 56' ' ' PHE . 37.9 mt -68.42 -45.12 82.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.34 -9.27 58.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.552 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.03 -56.51 2.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.35 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.565 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 2.0 m -82.09 -49.4 17.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.489 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 136.39 -148.61 19.78 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.473 ' C ' ' CD2' ' A' ' 32' ' ' TYR . 4.2 mt -121.86 69.72 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.473 ' CD2' ' C ' ' A' ' 31' ' ' LEU . 1.4 p90 179.13 63.39 0.11 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.561 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.2 Cg_endo -75.06 172.44 16.35 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.527 1.803 . . . . 0.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.02 164.61 13.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -47.42 -24.06 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.4 -50.35 11.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.27 -39.48 83.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.402 ' CD1' HG12 ' A' ' 53' ' ' ILE . 2.9 mt -65.42 -41.31 90.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -38.36 77.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.609 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.6 m -69.25 -36.37 77.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.436 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.2 mt -70.6 -39.21 73.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.468 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 2.0 t -71.58 -16.08 62.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.971 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.29 -68.6 0.79 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -40.17 -42.62 1.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.277 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 11.1 mt -92.96 -29.23 15.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER 81.25 23.01 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.46 ' O ' ' CB ' ' A' ' 42' ' ' SER . 15.5 mt -97.41 162.8 21.35 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.549 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.2 Cg_endo -75.0 159.8 40.94 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -64.02 -52.57 58.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.549 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.0 p-80 -49.23 -43.4 42.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.596 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -59.96 -59.3 5.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.408 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.49 ' CD1' ' O ' ' A' ' 48' ' ' PRO . 3.3 mt -57.32 -48.68 82.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.402 HG12 ' CD1' ' A' ' 38' ' ' ILE . 82.4 mt -56.59 -60.52 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -42.51 -67.39 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.508 ' CE2' ' CD1' ' A' ' 19' ' ' LEU . 1.1 t80 -38.28 -58.27 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.561 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 1.1 m-85 -47.25 -53.49 13.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.536 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -36.11 -83.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.536 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -28.79 -60.92 0.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 tp -46.74 -61.85 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -51.54 -43.51 52.84 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 42.5 mt -54.75 -58.55 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.453 HD12 ' CD1' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -62.09 -37.98 87.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.415 ' N ' ' HG ' ' A' ' 22' ' ' LEU . 0.8 OUTLIER -53.61 -42.77 68.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.8 t -60.12 -42.08 94.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.581 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -65.64 -30.68 71.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.566 HG12 ' CE1' ' A' ' 56' ' ' PHE . 75.6 mt -68.28 -41.16 83.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -11.7 59.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.578 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -91.9 -54.1 4.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.569 HG23 ' CE1' ' A' ' 25' ' ' PHE . 3.8 m -80.75 -45.43 21.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 26' ' ' ILE . . . 130.63 -109.16 0.89 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.488 1.117 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.5 mt -146.84 43.72 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -146.6 74.62 12.47 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.951 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.564 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.97 133.56 16.78 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.467 1.772 . . . . 0.0 110.999 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.5 OUTLIER -89.41 151.31 22.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -40.61 -28.52 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -78.2 -48.52 15.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . . . -56.31 -43.15 78.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.9 mt -59.46 -46.0 93.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.29 -40.99 75.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.579 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.6 m -66.79 -35.91 81.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.393 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.2 mt -72.55 -37.3 68.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.47 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 2.0 t -73.57 -16.27 61.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.044 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.59 -67.45 0.85 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.112 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -41.83 -44.01 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.49 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 11.3 mt -91.42 -28.86 17.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 3.2 t0 81.23 21.17 0.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.429 ' O ' ' CB ' ' A' ' 42' ' ' SER . 15.2 mt -94.05 162.84 25.51 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.242 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.56 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.4 Cg_endo -75.01 159.5 41.26 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.497 1.788 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt -64.48 -50.84 65.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.56 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.0 p-80 -50.63 -45.79 57.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.605 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -56.81 -60.05 4.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.435 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 42' ' ' SER . 4.4 mt -53.53 -46.17 59.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.469 ' CG2' ' NE2' ' A' ' 57' ' ' GLN . 95.1 mt -59.95 -65.07 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' ILE . 3.4 mptm? -40.17 -59.69 1.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -47.07 -55.15 8.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.566 ' CE1' HG12 ' A' ' 26' ' ' ILE . 0.8 OUTLIER -53.39 -51.77 61.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.469 ' NE2' ' CG2' ' A' ' 53' ' ' ILE . 62.6 mt-30 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.537 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -35.32 -83.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.261 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.537 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -28.99 -51.96 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.631 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 1.0 OUTLIER -52.42 -71.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -42.51 -47.66 5.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.3 mt -46.2 -47.31 6.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.559 0.799 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.47 ' CD1' HD13 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -81.43 -39.87 24.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.424 ' N ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -54.72 -33.26 60.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.4 t -69.89 -52.45 24.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.998 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.586 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -55.82 -30.47 61.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 111.034 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.573 HG12 ' CE1' ' A' ' 56' ' ' PHE . 64.8 mt -66.32 -46.81 86.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -72.72 -10.57 59.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.605 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.75 -55.5 3.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.57 HG21 ' CE1' ' A' ' 25' ' ' PHE . 2.9 m -79.54 -49.38 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.474 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 136.51 -129.77 4.98 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.547 1.154 . . . . 0.0 111.018 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.0 mt -136.78 48.52 2.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.756 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.416 ' N ' ' HD3' ' A' ' 33' ' ' PRO . 89.2 m-85 -153.03 63.09 4.57 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.567 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.1 Cg_endo -75.07 174.63 12.47 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.473 1.775 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.424 ' C ' ' N ' ' A' ' 36' ' ' GLU . 22.1 m-20 -127.82 158.38 37.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -40.91 -28.49 0.08 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.352 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -74.89 -50.18 17.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.309 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . -59.59 -42.1 91.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.9 mt -63.41 -45.84 96.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -46.54 69.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.604 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.7 m -60.78 -35.4 76.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.458 ' CD2' ' HB2' ' A' ' 22' ' ' LEU . 65.3 mt -72.65 -35.92 67.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.467 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 3.2 t -75.47 -15.01 60.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.034 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -99.42 -67.18 0.86 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -41.32 -43.42 2.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 10.4 mt -92.24 -30.02 16.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 14.8 t0 82.06 22.17 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.415 ' O ' ' CB ' ' A' ' 42' ' ' SER . 15.6 mt -96.72 163.41 20.36 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.565 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.3 Cg_endo -75.01 161.15 39.19 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.567 1.825 . . . . 0.0 111.038 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.3 mtpt -65.44 -51.11 62.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.8 p-80 -50.14 -47.91 53.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.627 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.3 m -56.79 -55.49 33.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.412 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 42' ' ' SER . 4.9 mt -59.22 -46.33 92.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.3 mt -58.86 -58.3 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.45 -63.97 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.631 ' CE2' ' CD2' ' A' ' 19' ' ' LEU . 5.3 t80 -41.84 -61.41 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.573 ' CE1' HG12 ' A' ' 26' ' ' ILE . 1.8 m-85 -43.08 -54.91 4.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.278 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.532 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.9 OUTLIER -36.73 -83.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.532 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -29.21 -59.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.504 ' CD1' ' CE2' ' A' ' 55' ' ' PHE . 3.1 tp -47.19 -63.11 1.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -50.53 -44.33 46.21 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.4 mt -53.21 -56.39 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.454 ' HB2' ' CD2' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -66.09 -37.27 85.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -43.27 71.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.3 t -59.13 -37.91 78.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -71.07 -28.3 64.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 111.013 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.48 HG12 ' CE1' ' A' ' 56' ' ' PHE . 12.2 mt -67.63 -40.45 84.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.08 -10.92 59.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.629 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.79 -51.3 5.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.532 HG23 ' CZ ' ' A' ' 25' ' ' PHE . 1.5 m -88.26 -49.31 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.481 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 134.61 -116.29 1.58 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.454 1.096 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.2 mt -141.84 36.06 1.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 0.776 . . . . 0.0 109.259 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.402 ' N ' ' HD3' ' A' ' 33' ' ' PRO . 52.1 m-85 -133.12 63.96 68.45 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.555 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.98 129.01 11.95 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.495 1.787 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -85.13 154.41 22.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.251 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -42.05 -27.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -77.62 -47.5 19.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . -58.15 -40.07 80.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.4 mt -63.94 -45.33 97.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.1 . . . . 0.0 109.314 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -44.09 71.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.626 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.0 m -63.36 -37.2 86.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.379 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.454 ' CD2' ' HB2' ' A' ' 22' ' ' LEU . 85.2 mt -70.29 -39.46 74.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 1.3 t -71.5 -17.64 62.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.981 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.74 -68.1 0.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -41.27 -43.86 2.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.41 1.069 . . . . 0.0 110.32 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 11.1 mt -90.61 -30.18 17.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 8.7 t0 82.09 23.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.471 ' O ' ' CB ' ' A' ' 42' ' ' SER . 15.0 mt -98.64 163.0 19.83 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.562 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.2 Cg_endo -75.07 159.2 41.37 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.789 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -62.98 -53.96 45.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.4 p-80 -48.1 -44.24 31.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.596 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -58.63 -60.15 4.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.422 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.484 ' CD1' ' O ' ' A' ' 48' ' ' PRO . 3.2 mt -56.52 -39.6 63.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 56' ' ' PHE . 96.7 mt -64.16 -57.4 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.421 ' HA ' ' NE2' ' A' ' 57' ' ' GLN . 11.4 mttm -44.81 -43.92 9.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.504 ' CE2' ' CD1' ' A' ' 19' ' ' LEU . 1.9 t80 -62.58 -33.88 75.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.555 ' CE1' ' HG3' ' A' ' 33' ' ' PRO . 4.4 m-85 -84.23 -58.39 2.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.421 ' NE2' ' HA ' ' A' ' 54' ' ' LYS . 2.0 pt20 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.305 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.535 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.3 mt-10 -36.08 -83.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.535 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -28.71 -60.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.559 ' CD1' ' CE2' ' A' ' 55' ' ' PHE . 2.4 tp -47.95 -61.65 1.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -53.46 -38.79 58.54 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 36.6 mt -59.24 -51.5 71.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.07 -36.15 74.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.44 -40.99 79.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.349 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.9 t -60.72 -40.67 93.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.016 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.599 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -68.05 -28.37 67.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.567 HG12 ' CE1' ' A' ' 56' ' ' PHE . 78.6 mt -69.57 -42.49 80.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.15 -12.51 60.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.584 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -92.42 -54.4 3.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.526 HG22 ' CE1' ' A' ' 25' ' ' PHE . 2.4 m -78.94 -47.78 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.45 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 132.78 -112.33 1.12 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.441 1.088 . . . . 0.0 111.011 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 49.3 mt -146.48 42.14 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.779 . . . . 0.0 109.272 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -144.83 71.67 15.13 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.57 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -74.93 138.7 23.56 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.788 . . . . 0.0 111.045 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -96.93 155.12 16.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -43.02 -27.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -78.8 -45.67 20.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.473 ' HB1' ' CZ ' ' A' ' 25' ' ' PHE . . . -61.01 -42.45 98.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.0 mt -62.18 -44.51 99.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.86 -41.68 74.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.596 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.3 m -66.73 -36.11 81.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.39 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 75.4 mt -71.58 -36.81 71.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.467 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 2.6 t -74.61 -15.13 60.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.974 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.99 -67.45 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -40.9 -46.35 2.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.318 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.495 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 11.7 mt -89.13 -29.34 19.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 5.3 t0 81.61 22.56 0.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.418 ' O ' ' CB ' ' A' ' 42' ' ' SER . 14.8 mt -96.26 163.59 20.41 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.562 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.2 Cg_endo -74.98 161.12 39.35 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.428 1.752 . . . . 0.0 111.012 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -65.51 -50.62 64.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.8 p-80 -50.72 -47.02 59.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.609 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -56.35 -60.0 4.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.411 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.497 ' CD1' ' O ' ' A' ' 48' ' ' PRO . 3.9 mt -54.42 -47.2 70.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.33 -59.21 3.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.18 -64.76 0.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.559 ' CE2' ' CD1' ' A' ' 19' ' ' LEU . 1.7 t80 -40.53 -56.58 2.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.57 ' CE1' ' HG3' ' A' ' 33' ' ' PRO . 2.4 m-85 -52.74 -56.23 17.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.535 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.0 mt-10 -36.61 -82.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.535 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -29.82 -56.4 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.489 HD13 ' CE2' ' A' ' 55' ' ' PHE . 2.9 tp -53.06 -63.66 1.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -47.37 -43.04 19.35 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.537 1.148 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 44.4 mt -54.01 -65.36 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 109.349 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.416 ' CD1' HD11 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -53.82 -35.07 61.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -39.83 81.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.6 t -62.63 -43.27 99.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.598 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -65.1 -27.65 68.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.57 HG12 ' CE1' ' A' ' 56' ' ' PHE . 96.5 mt -69.09 -42.96 82.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.07 -12.64 60.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.609 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.75 -51.96 5.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.567 HG23 ' CE1' ' A' ' 25' ' ' PHE . 3.2 m -82.35 -49.79 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.473 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 133.3 -108.81 0.77 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.549 1.156 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.5 mt -147.44 47.49 1.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -150.25 71.99 9.26 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.05 127.15 10.42 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -85.03 153.64 22.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -41.95 -27.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -78.05 -47.39 18.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.271 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 25' ' ' PHE . . . -58.24 -42.54 86.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.427 ' CD1' HG12 ' A' ' 53' ' ' ILE . 2.8 mt -61.25 -42.4 93.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -41.82 85.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.628 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.5 m -66.28 -37.38 85.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.383 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.9 mt -70.83 -38.75 73.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.451 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 2.1 t -72.3 -15.66 61.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.972 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.98 -68.42 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -40.61 -42.31 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.489 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 10.8 mt -93.35 -28.68 16.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 2.4 t0 80.9 22.08 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.447 ' O ' ' CB ' ' A' ' 42' ' ' SER . 14.3 mt -95.64 163.14 22.1 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.558 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.3 Cg_endo -75.01 159.22 41.59 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.483 1.781 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -62.86 -52.91 61.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.2 p-80 -49.26 -45.09 44.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.574 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.41 -60.85 2.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.451 ' CD1' ' HB2' ' A' ' 42' ' ' SER . 3.4 mt -54.75 -47.85 73.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.427 HG12 ' CD1' ' A' ' 38' ' ' ILE . 95.9 mt -56.99 -61.26 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.49 -71.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.489 ' CE2' HD13 ' A' ' 19' ' ' LEU . 3.0 t80 -37.5 -54.4 1.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.57 ' CE1' HG12 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -51.2 -52.74 41.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.13 . . . . 0.0 111.009 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.285 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.548 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.4 mt-10 -36.17 -83.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.548 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -28.22 -58.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.469 HD12 ' CE2' ' A' ' 55' ' ' PHE . 2.3 tp -50.41 -62.64 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -50.23 -44.68 43.8 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.8 mt -51.69 -58.27 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.461 ' CD1' ' CD1' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -64.66 -38.25 90.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.39 -48.75 71.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.3 t -55.09 -43.14 73.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.113 . . . . 0.0 110.026 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.59 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -64.81 -30.79 71.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 111.023 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.498 HG12 ' CZ ' ' A' ' 56' ' ' PHE . 92.8 mt -66.95 -43.58 89.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.64 -10.52 59.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.594 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -93.11 -53.46 4.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.559 HG22 ' CE1' ' A' ' 25' ' ' PHE . 2.4 m -82.89 -49.72 16.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.484 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 138.77 -130.47 4.91 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.437 1.086 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 mt -138.56 58.84 1.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 0.756 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -171.17 64.34 0.4 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.956 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.565 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.05 172.25 16.73 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.514 1.797 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.49 165.36 13.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.592 1.183 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -47.65 -24.12 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.59 -51.0 11.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.259 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.26 -40.1 84.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.2 mt -64.09 -46.16 94.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -40.24 66.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.585 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.4 m -66.94 -36.68 82.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.385 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.2 mt -71.39 -38.87 71.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 1.4 t -72.07 -17.19 62.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.08 -68.09 0.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -40.14 -43.8 1.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.302 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.495 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 12.4 mt -91.78 -29.36 16.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 5.3 t0 81.9 23.6 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.247 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.495 ' O ' ' CB ' ' A' ' 42' ' ' SER . 18.2 mt -98.17 162.43 22.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.558 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.2 Cg_endo -75.04 161.9 37.9 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.536 1.809 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -65.84 -52.11 53.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.9 p-80 -49.21 -40.79 34.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.596 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.56 -59.01 5.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.387 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' A' ' 48' ' ' PRO . 3.2 mt -58.19 -43.87 86.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 80.1 mt -62.58 -61.5 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -41.74 -55.16 3.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.469 ' CE2' HD12 ' A' ' 19' ' ' LEU . 1.1 t80 -51.1 -49.69 60.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.565 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 1.2 m-85 -58.56 -44.3 89.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 111.041 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.542 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.0 OUTLIER -36.38 -83.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.542 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -28.34 -60.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.617 ' CD1' ' CE2' ' A' ' 55' ' ' PHE . 2.4 tp -47.33 -62.24 1.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -51.07 -46.65 50.46 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.15 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 29.5 mt -49.37 -57.8 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.411 0.713 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.455 HD13 ' CD1' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -64.89 -35.39 80.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.91 -41.08 77.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.1 t -61.45 -39.89 92.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.0 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.6 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -68.9 -29.96 68.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.573 HG12 ' CE1' ' A' ' 56' ' ' PHE . 96.3 mt -66.17 -41.47 89.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.89 -13.5 59.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.565 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -90.46 -53.41 4.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.535 HG21 ' CE1' ' A' ' 25' ' ' PHE . 1.5 m -82.86 -45.6 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.431 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 129.25 -117.37 2.4 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.465 1.103 . . . . 0.0 110.985 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.8 mt -141.4 41.81 1.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 0.738 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -143.01 71.4 18.59 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.564 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -75.0 156.19 42.98 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.463 1.77 . . . . 0.0 110.983 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -116.23 157.24 25.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -44.03 -26.43 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -80.07 -44.32 20.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . -64.57 -43.76 92.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.5 mt -61.31 -40.4 85.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -45.86 90.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.622 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.4 m -62.67 -36.11 81.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.403 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.405 ' CD2' ' HB2' ' A' ' 22' ' ' LEU . 92.5 mt -71.9 -37.52 70.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.47 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 1.5 t -73.64 -16.77 61.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.989 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.9 -67.27 0.85 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -40.64 -45.87 2.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 11.8 mt -89.79 -29.97 18.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 5.4 t0 82.04 23.64 0.23 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.413 ' O ' ' CB ' ' A' ' 42' ' ' SER . 15.7 mt -97.89 162.78 21.09 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.557 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.3 Cg_endo -75.01 159.35 41.44 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.769 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -63.35 -53.26 55.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.557 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.2 p-80 -48.58 -46.21 38.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 109.575 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -58.34 -59.23 5.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.383 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.505 ' CD1' ' O ' ' A' ' 48' ' ' PRO . 3.7 mt -56.09 -46.14 80.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 96.4 mt -58.21 -58.55 5.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -40.67 -66.4 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.617 ' CE2' ' CD1' ' A' ' 19' ' ' LEU . 1.8 t80 -39.37 -59.43 1.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.573 ' CE1' HG12 ' A' ' 26' ' ' ILE . 1.7 m-85 -47.11 -53.88 11.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.974 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.573 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -36.46 -84.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.573 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -26.29 -54.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.427 HD13 ' CZ ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -44.87 -67.28 0.3 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 0.0 109.258 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -47.73 -47.41 24.38 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.487 1.117 . . . . 0.0 110.95 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.9 mt -50.16 -58.63 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.775 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.463 ' CD1' HD12 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -66.23 -24.44 66.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.63 -48.51 54.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.7 t -58.14 -41.68 84.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.977 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.571 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -61.1 -38.62 86.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 111.016 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.552 HD12 ' CZ ' ' A' ' 56' ' ' PHE . 1.8 mt -62.33 -44.63 99.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -72.8 -10.15 59.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.589 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.81 -57.52 2.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.571 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 3.9 m -82.13 -50.7 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.476 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 140.92 -142.15 11.96 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.475 1.109 . . . . 0.0 111.041 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.546 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 45.8 mt -129.06 58.98 1.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.771 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.546 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 89.6 m-85 -162.71 63.65 1.41 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.143 . . . . 0.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.03 169.94 21.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.514 1.797 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.415 ' C ' ' N ' ' A' ' 36' ' ' GLU . 0.8 OUTLIER -123.92 166.46 15.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -44.49 -26.02 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -77.4 -51.57 10.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.285 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.404 ' N ' ' HG2' ' A' ' 36' ' ' GLU . . . -58.18 -43.85 87.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.6 mt -61.58 -40.27 86.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -35.55 76.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.604 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.3 m -72.86 -33.22 65.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.351 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.6 mt -74.56 -36.52 63.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 1.1 t -72.87 -18.2 61.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.001 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.08 -67.81 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -40.74 -42.2 1.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.509 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 12.3 mt -92.98 -30.21 15.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 7.0 t70 82.64 23.75 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.485 ' O ' ' CB ' ' A' ' 42' ' ' SER . 16.7 mt -99.43 162.63 20.66 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.558 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.3 Cg_endo -74.95 162.07 37.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.486 1.782 . . . . 0.0 111.057 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -65.94 -51.89 54.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.7 p-80 -49.13 -51.5 31.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.58 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.8 m -53.9 -54.2 42.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.395 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.488 ' CD1' ' O ' ' A' ' 48' ' ' PRO . 5.8 mt -59.83 -51.45 72.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.351 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 95.0 mt -54.54 -60.15 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.53 -60.99 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.427 ' CZ ' HD13 ' A' ' 19' ' ' LEU . 2.2 t80 -43.41 -53.44 5.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.567 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 2.4 m-85 -55.19 -49.77 71.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.542 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.2 mt-10 -36.16 -82.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.542 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -29.27 -57.36 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.424 ' CD1' ' CZ ' ' A' ' 55' ' ' PHE . 2.4 tp -52.29 -68.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -45.34 -45.49 11.04 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 77.2 mt -49.28 -64.15 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.507 ' CD1' ' CD1' ' A' ' 26' ' ' ILE . 0.4 OUTLIER -61.73 -36.18 80.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.54 -49.17 77.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.326 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.9 t -55.66 -42.41 75.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.021 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.566 ' CZ ' HG22 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -61.75 -33.0 73.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.564 HD13 ' CZ ' ' A' ' 56' ' ' PHE . 1.8 mt -65.14 -44.15 95.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.85 -11.23 60.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.592 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.25 -58.22 2.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.566 HG22 ' CZ ' ' A' ' 25' ' ' PHE . 2.2 m -84.11 -49.85 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.483 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 139.35 -146.34 17.9 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.46 1.1 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.417 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 17.1 mt -124.66 56.27 1.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.777 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.419 ' N ' ' HD3' ' A' ' 33' ' ' PRO . 87.9 m-85 -158.22 62.88 2.48 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.978 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.576 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.99 177.85 8.04 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.545 1.813 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.43 ' C ' ' N ' ' A' ' 36' ' ' GLU . 16.4 m-20 -131.1 162.89 28.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -41.38 -28.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -76.93 -52.23 9.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 110.296 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.93 -41.0 81.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.7 mt -64.02 -45.74 95.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.01 -40.04 66.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.596 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.6 m -66.91 -36.91 83.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.408 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.9 mt -71.02 -36.41 72.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 1.7 t -75.09 -16.29 60.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.963 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.75 -66.78 0.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -42.2 -43.64 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.478 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 10.4 mt -91.86 -27.64 17.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.478 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 1.6 t70 79.96 22.62 0.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 42' ' ' SER . 16.0 mt -96.9 163.31 20.41 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.561 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.3 Cg_endo -75.0 159.22 41.63 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.511 1.795 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.3 mtpt -62.43 -54.03 46.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.561 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.3 p-80 -48.18 -48.47 34.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.605 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -53.01 -54.97 27.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.424 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.455 HD12 ' N ' ' A' ' 42' ' ' SER . 4.2 mt -61.79 -53.69 44.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 85.3 mt -50.67 -63.6 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.97 -65.42 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.515 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.7 OUTLIER -39.27 -63.41 0.55 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.576 ' CE1' ' HG3' ' A' ' 33' ' ' PRO . 2.2 m-85 -40.83 -57.54 1.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.061 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 110.293 179.955 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.433 ' O ' ' CB ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.56 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -36.5 -84.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.56 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -25.31 -53.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.433 ' CB ' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -39.85 -71.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.5 -44.91 37.29 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.6 mt -51.76 -38.01 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 0.781 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.562 ' CD1' ' CD1' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -86.19 -35.79 19.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -48.45 81.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.5 t -49.28 -44.64 44.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.993 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.571 ' CE1' HG23 ' A' ' 29' ' ' VAL . 1.5 t80 -64.2 -46.64 83.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.576 HG12 ' CZ ' ' A' ' 56' ' ' PHE . 98.7 mt -53.51 -29.32 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -84.35 -21.87 30.76 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.621 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -83.23 -13.17 55.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.571 HG23 ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -128.23 -89.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 175.56 -112.75 0.41 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.5 mt -143.52 28.87 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.786 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.428 ' N ' ' HD3' ' A' ' 33' ' ' PRO . 90.7 m-85 -140.27 62.4 20.0 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -75.0 174.94 11.92 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -114.56 158.04 22.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -42.09 -29.81 0.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.409 ' HG2' ' N ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -71.2 -50.55 31.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . . . -60.36 -38.48 84.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.4 mt -67.06 -43.26 88.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.322 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.53 -41.11 76.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.568 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.1 m -66.01 -34.87 79.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 110.406 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.6 mt -73.98 -37.4 64.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.47 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 1.6 t -73.11 -16.72 61.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.998 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.3 -67.84 0.83 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -40.17 -44.02 1.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 11.0 mt -91.83 -29.26 16.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER 81.01 23.54 0.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.406 ' O ' ' CB ' ' A' ' 42' ' ' SER . 16.4 mt -97.77 162.33 22.73 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.548 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.4 Cg_endo -74.96 161.72 38.4 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -65.34 -53.34 45.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.257 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.548 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.9 p-80 -48.1 -43.68 31.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.63 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -60.89 -58.64 7.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.388 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.487 ' CD1' ' O ' ' A' ' 48' ' ' PRO . 3.8 mt -57.16 -44.29 83.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.61 -59.38 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -44.24 -65.04 0.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 1.9 t80 -42.69 -54.2 4.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.576 ' CZ ' HG12 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -47.81 -49.47 28.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.539 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.7 mt-10 -36.16 -83.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.539 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -29.01 -59.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.417 ' CD1' ' CZ ' ' A' ' 55' ' ' PHE . 2.9 tp -48.1 -63.6 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -50.35 -46.77 44.39 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.134 . . . . 0.0 111.035 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.406 HD12 ' N ' ' A' ' 18' ' ' ALA . 19.4 mt -48.3 -55.83 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.754 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.463 HD12 ' CD1' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -69.85 -31.82 69.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -62.72 -40.87 98.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.2 t -64.06 -40.34 96.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.998 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.568 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -65.39 -30.59 71.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.987 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.503 ' O ' ' CA ' ' A' ' 30' ' ' GLY . 2.7 mt -64.36 -40.4 88.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -80.05 -13.3 59.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 109.573 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -88.55 -50.24 6.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.56 HG23 ' CZ ' ' A' ' 25' ' ' PHE . 1.5 m -94.59 -48.92 12.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.503 ' CA ' ' O ' ' A' ' 26' ' ' ILE . . . 139.09 -141.66 12.09 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.53 1.143 . . . . 0.0 111.063 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.3 mt -128.16 46.67 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.753 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.405 ' N ' ' HD3' ' A' ' 33' ' ' PRO . 87.9 m-85 -147.34 63.79 8.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.57 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.2 Cg_endo -74.98 174.22 13.15 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.491 1.785 . . . . 0.0 110.992 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.418 ' C ' ' N ' ' A' ' 36' ' ' GLU . 0.8 OUTLIER -127.34 164.23 22.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -43.36 -26.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -77.8 -51.64 10.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.87 -41.87 83.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.5 mt -63.55 -40.93 90.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -38.05 78.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.637 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.7 m -69.9 -35.46 74.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.425 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.408 ' CD2' ' HB2' ' A' ' 22' ' ' LEU . 85.8 mt -71.78 -37.98 70.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 1.7 t -72.9 -16.41 61.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.98 -67.87 0.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -41.06 -42.12 1.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 11.7 mt -93.17 -29.74 15.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 2.0 t70 82.02 23.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 42' ' ' SER . 15.8 mt -98.15 163.22 19.73 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.563 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.2 Cg_endo -75.04 158.96 41.75 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.93 -54.41 42.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.563 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.4 p-80 -47.94 -49.25 30.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.616 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -52.61 -56.57 14.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.439 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 42' ' ' SER . 3.7 mt -60.81 -47.57 92.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 54' ' ' LYS . 41.4 mt -55.52 -66.46 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -40.3 -65.28 0.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.417 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 1.8 t80 -37.58 -61.64 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.57 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 1.2 m-85 -44.49 -53.55 6.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.534 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.6 mt-10 -36.16 -83.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 110.37 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.534 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -28.39 -60.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 tp -47.94 -62.7 1.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -50.11 -49.11 37.79 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.412 HD11 ' N ' ' A' ' 18' ' ' ALA . 18.2 mt -45.89 -60.31 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.545 0.791 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.461 ' HB2' ' CD2' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -63.92 -38.21 90.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.412 ' N ' ' HG ' ' A' ' 22' ' ' LEU . 4.4 tm0? -51.58 -36.02 43.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.1 t -65.76 -38.18 88.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.05 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.575 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -69.84 -30.68 68.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.448 ' CD1' HD12 ' A' ' 22' ' ' LEU . 59.6 mt -66.79 -39.8 84.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -78.45 -13.47 59.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.627 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -90.96 -52.21 4.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.563 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 2.5 m -82.75 -47.77 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.453 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 138.86 -87.71 0.21 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.518 1.136 . . . . 0.0 110.955 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.1 mt -151.55 -86.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 0.733 . . . . 0.0 109.36 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.445 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 7.5 p90 -37.52 97.84 0.14 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.972 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.558 ' HG3' ' CE2' ' A' ' 56' ' ' PHE . 18.1 Cg_endo -75.02 -164.77 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.448 1.762 . . . . 0.0 110.971 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -144.26 148.49 34.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.339 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -43.03 -27.01 0.17 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -82.2 -43.33 17.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.261 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.466 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . . . -65.53 -42.22 92.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.6 mt -61.42 -41.01 88.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.256 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -43.07 94.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.645 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.0 m -65.16 -38.75 91.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.427 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.461 ' CD2' ' HB2' ' A' ' 22' ' ' LEU . 76.0 mt -69.47 -39.27 77.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.472 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 1.4 t -71.61 -16.95 62.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.96 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.61 -68.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -40.72 -44.45 2.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 11.4 mt -90.86 -29.31 17.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 0.9 OUTLIER 81.66 22.35 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.461 ' O ' ' CB ' ' A' ' 42' ' ' SER . 16.3 mt -95.6 162.98 22.55 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.547 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.3 Cg_endo -75.03 160.65 39.82 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.437 1.757 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -64.82 -52.07 58.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.547 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.9 p-80 -49.6 -44.24 46.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.599 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -57.73 -58.74 7.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.407 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.472 ' CD1' ' HB2' ' A' ' 42' ' ' SER . 3.6 mt -57.5 -42.48 81.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 70.2 mt -59.95 -63.83 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.75 -59.09 1.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -47.04 -57.54 4.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.558 ' CE2' ' HG3' ' A' ' 33' ' ' PRO . 1.4 m-85 -48.19 -47.46 35.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.536 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.2 mt-10 -35.58 -82.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.536 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -29.3 -50.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.631 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 1.0 OUTLIER -57.06 -73.42 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -42.89 -35.77 2.34 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.558 1.161 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 44.1 mt -59.26 -53.48 47.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 0.743 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.47 ' CD1' HD12 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -73.93 -36.8 64.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.406 ' N ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -57.24 -41.74 80.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.3 t -63.65 -50.25 70.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.995 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CD2' HG12 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -52.95 -36.62 60.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 111.037 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.565 HD12 ' CZ ' ' A' ' 56' ' ' PHE . 1.9 mt -61.24 -47.89 91.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -71.84 -9.64 58.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.608 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.41 -59.26 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.562 HG12 ' CD2' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -82.32 -49.96 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.17 . . . . 0.0 109.339 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.513 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . 143.38 -148.58 20.38 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.504 1.127 . . . . 0.0 111.04 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.475 ' CD2' ' CG2' ' A' ' 26' ' ' ILE . 5.3 mt -127.54 57.68 1.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 0.744 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.513 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 0.5 OUTLIER -163.76 63.4 1.18 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.571 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -74.99 174.21 13.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.503 1.791 . . . . 0.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -122.39 168.28 12.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -47.41 -23.89 0.69 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.404 ' HG2' ' N ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -79.76 -51.99 8.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.307 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.404 ' N ' ' HG2' ' A' ' 36' ' ' GLU . . . -58.13 -40.21 80.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 mt -63.96 -44.41 97.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -39.91 71.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.605 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.2 m -67.41 -34.68 77.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.403 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.6 mt -73.3 -35.8 66.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.477 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 2.0 t -75.08 -15.91 60.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.033 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.63 -67.05 0.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -41.45 -43.0 2.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 9.9 mt -92.6 -29.93 15.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER 82.17 21.52 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.441 ' O ' ' CB ' ' A' ' 42' ' ' SER . 14.8 mt -96.5 163.18 21.1 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.573 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.2 Cg_endo -75.05 162.54 36.83 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -65.8 -52.13 53.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.573 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.7 p-80 -48.82 -52.68 22.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.556 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.3 m -52.91 -49.99 64.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.426 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.477 ' CD1' ' HB2' ' A' ' 42' ' ' SER . 8.2 mt -63.26 -53.18 49.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 95.5 mt -53.47 -59.19 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.13 -64.99 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.631 ' CE2' ' CD2' ' A' ' 19' ' ' LEU . 7.0 t80 -44.33 -52.01 7.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.571 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 2.0 m-85 -55.6 -53.63 54.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 110.333 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.52 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.5 mt-10 -36.27 -83.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.52 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -28.91 -58.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.442 HD11 ' CE2' ' A' ' 55' ' ' PHE . 2.4 tp -51.7 -67.56 0.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -47.24 -43.22 18.68 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.447 1.092 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.7 mt -52.47 -61.83 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.526 0.78 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.445 ' HB2' ' CD2' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -63.11 -36.47 83.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.06 -41.36 68.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.2 t -61.45 -39.53 91.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.604 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -68.94 -27.55 65.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.575 HG12 ' CE1' ' A' ' 56' ' ' PHE . 67.1 mt -69.46 -42.0 80.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.41 -12.69 60.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.612 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.9 -53.61 4.2 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.567 HG23 ' CE1' ' A' ' 25' ' ' PHE . 2.3 m -81.22 -45.4 20.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 26' ' ' ILE . . . 127.59 -114.19 1.85 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.9 mt -144.03 49.16 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 0.725 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -149.85 67.96 8.76 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.574 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.05 138.0 22.34 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.469 1.773 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -96.67 155.99 16.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -43.15 -26.81 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.345 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -78.36 -44.65 24.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . -62.89 -42.98 99.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.7 mt -62.69 -42.98 98.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -35.99 72.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.609 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.4 m -72.57 -34.01 67.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.441 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.445 ' CD2' ' HB2' ' A' ' 22' ' ' LEU . 92.5 mt -75.04 -34.56 61.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.477 ' N ' HD12 ' A' ' 52' ' ' ILE . 2.6 t -75.72 -14.9 60.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.046 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -100.47 -67.28 0.86 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -40.56 -41.62 1.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 11.7 mt -95.1 -29.64 14.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 4.3 t0 82.3 21.31 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.8 mt -94.49 162.64 25.29 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.558 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.4 Cg_endo -75.05 159.43 41.2 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -63.95 -52.52 59.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.0 p-80 -48.97 -48.68 43.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.649 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -55.01 -52.89 61.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.403 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.477 HD12 ' N ' ' A' ' 42' ' ' SER . 9.0 mt -62.98 -47.11 94.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 91.7 mt -57.38 -63.07 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -41.6 -69.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.9 OUTLIER -37.42 -56.45 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.575 ' CE1' HG12 ' A' ' 26' ' ' ILE . 0.6 OUTLIER -49.36 -56.63 8.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 17' ' ' GLU . 8.9 tp . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.556 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -36.09 -83.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 110.277 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.556 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -27.78 -47.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.566 HD21 ' CZ ' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -61.96 -75.61 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -41.46 -26.72 0.24 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.42 ' N ' ' C ' ' A' ' 19' ' ' LEU . 19.9 mt -67.62 -64.2 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.767 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.53 ' C ' ' CD2' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -70.65 -18.83 62.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.438 ' N ' HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -74.05 -35.88 64.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.268 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.4 t -68.52 -34.52 76.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.023 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.604 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -73.21 -27.5 61.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.568 HG12 ' CE1' ' A' ' 56' ' ' PHE . 44.3 mt -68.72 -45.1 81.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -73.24 -13.46 61.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.637 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.23 -55.87 3.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.567 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 2.1 m -76.63 -47.55 28.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.461 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 133.85 -140.98 12.26 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.469 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 12.6 mt -129.28 56.75 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 0.782 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.469 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 77.8 m-85 -162.38 63.15 1.41 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.567 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.98 173.28 14.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.466 1.772 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' A' ' 36' ' ' GLU . 7.0 m-20 -124.56 163.24 22.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.085 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -46.65 -24.42 0.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -77.86 -50.37 12.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.42 -46.19 89.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.6 mt -57.97 -47.86 85.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -51.72 -44.03 63.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.608 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.0 m -63.06 -36.0 82.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.431 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.464 ' CD2' ' HB2' ' A' ' 22' ' ' LEU . 52.9 mt -72.67 -34.11 67.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 1.9 t -78.36 -14.5 59.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.013 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -99.28 -66.17 0.92 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -41.05 -41.46 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.464 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 10.2 mt -96.04 -26.17 15.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.464 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 6.2 t0 79.4 20.21 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.469 ' O ' ' CB ' ' A' ' 42' ' ' SER . 16.6 mt -93.43 162.91 26.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.563 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.6 Cg_endo -74.94 163.92 34.47 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.458 1.768 . . . . 0.0 111.041 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -68.19 -50.95 50.96 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.445 1.09 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.563 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.6 p-80 -49.49 -42.19 42.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.581 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.3 m -61.03 -58.6 7.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.372 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.45 ' CD1' ' HB2' ' A' ' 42' ' ' SER . 3.8 mt -57.38 -49.55 79.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 85.1 mt -58.02 -58.19 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.11 -55.77 3.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.566 ' CZ ' HD21 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -53.95 -46.73 71.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.568 ' CE1' HG12 ' A' ' 26' ' ' ILE . 1.2 m-85 -57.67 -46.03 84.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.994 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 20' ' ' GLY . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.554 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.1 mt-10 -36.69 -82.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.554 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -28.45 -49.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.495 ' O ' ' CD1' ' A' ' 22' ' ' LEU . 1.7 tp -64.05 -74.7 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 16' ' ' LEU . . . -40.45 -27.74 0.17 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.54 1.15 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.42 ' N ' ' C ' ' A' ' 19' ' ' LEU . 48.5 mt -66.62 -65.94 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.524 ' C ' ' CD2' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -68.97 -18.57 64.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.173 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.439 ' N ' HD11 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -73.76 -35.01 64.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.105 . . . . 0.0 110.292 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.2 t -69.73 -32.22 70.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 110.067 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.585 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -75.75 -27.36 58.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.527 HG12 ' CE1' ' A' ' 56' ' ' PHE . 16.9 mt -67.94 -40.49 83.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -78.56 -15.01 59.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.167 . . . . 0.0 109.591 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -89.02 -48.36 7.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.527 HG13 ' CD2' ' A' ' 25' ' ' PHE . 2.4 m -86.18 -49.61 15.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.488 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 135.53 -139.19 10.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.409 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 16.5 mt -129.46 55.09 1.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.422 ' N ' ' HD3' ' A' ' 33' ' ' PRO . 84.9 m-85 -160.04 62.57 1.87 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.558 1.161 . . . . 0.0 110.972 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.565 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.2 Cg_endo -75.01 176.11 10.35 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.507 1.793 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.78 164.53 21.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -47.52 -23.84 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.9 -52.34 9.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.97 -44.52 87.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 mt -60.17 -44.33 95.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.22 -41.3 71.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.616 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.3 m -66.18 -35.45 80.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.381 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 22' ' ' LEU . 31.4 mt -72.89 -34.32 66.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 1.3 t -77.63 -17.22 57.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.63 -65.91 0.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -42.12 -40.85 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.479 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 8.0 mt -95.42 -26.86 15.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.353 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.479 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 7.0 t0 80.48 19.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.504 ' O ' ' CB ' ' A' ' 42' ' ' SER . 14.8 mt -93.08 163.63 24.57 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.565 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.4 Cg_endo -74.95 161.39 38.96 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.509 1.794 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -65.01 -52.18 57.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.8 p-80 -49.21 -47.62 46.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.605 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -53.53 -53.67 48.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.41 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 42' ' ' SER . 3.8 mt -64.37 -46.31 93.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 58.9 mt -56.37 -64.69 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.79 -60.3 1.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.5 OUTLIER -45.11 -53.05 8.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 111.03 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.565 ' CE1' ' HG3' ' A' ' 33' ' ' PRO . 1.2 m-85 -54.2 -52.52 60.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 180.0 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 19' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.509 ' O ' ' C ' ' A' ' 18' ' ' ALA . 10.4 tt0 -32.25 -81.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.509 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -31.74 -49.52 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.569 HD12 ' CZ ' ' A' ' 55' ' ' PHE . 1.1 tp -41.76 -74.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 23' ' ' GLN . . . -43.98 -54.36 6.08 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.474 1.109 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' GLY . 41.2 mt -40.51 -47.13 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.5 0.765 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.432 HD12 ' CD1' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -80.94 -33.76 33.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 20' ' ' GLY . 0.2 OUTLIER -59.74 -40.52 88.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.346 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.0 t -59.42 -41.14 88.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -67.56 -29.6 69.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 110.974 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.565 HG12 ' CE1' ' A' ' 56' ' ' PHE . 86.3 mt -68.68 -42.0 82.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.21 -12.15 60.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.628 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.89 -52.53 4.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.55 HG21 ' CE1' ' A' ' 25' ' ' PHE . 2.9 m -81.44 -48.45 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.452 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 132.29 -107.53 0.72 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 39.6 mt -147.75 40.59 1.0 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -142.39 72.58 21.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.568 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.01 133.12 16.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 111.025 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -94.92 153.66 17.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -42.29 -27.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.26 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -76.74 -46.54 24.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.563 ' HB1' ' CZ ' ' A' ' 25' ' ' PHE . . . -62.5 -42.83 99.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.9 mt -61.87 -41.09 89.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -36.79 76.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.627 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.5 m -72.45 -33.91 67.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.387 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -74.47 -36.34 63.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.468 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 1.6 t -73.85 -16.8 61.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.28 -67.36 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -41.04 -44.87 2.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.256 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 12.5 mt -90.78 -29.64 17.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 3.8 t0 82.05 24.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.45 ' O ' ' CB ' ' A' ' 42' ' ' SER . 15.0 mt -97.7 162.85 20.98 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.556 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.3 Cg_endo -75.07 159.71 40.78 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.466 1.771 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -63.68 -52.88 58.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.556 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.2 p-80 -49.02 -47.55 44.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.635 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -54.99 -60.32 3.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 110.403 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 42' ' ' SER . 4.6 mt -53.19 -48.05 55.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 87.9 mt -57.86 -58.45 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -43.46 -65.49 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.569 ' CZ ' HD12 ' A' ' 19' ' ' LEU . 2.7 t80 -40.96 -52.87 3.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.568 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 1.1 m-85 -54.39 -53.94 47.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.937 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 110.281 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.535 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.9 mt-10 -35.18 -82.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.535 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -29.09 -45.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.475 ' HA ' ' CD1' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -60.7 -77.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -40.91 -27.11 0.17 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.447 1.092 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 19' ' ' LEU . 36.9 mt -67.81 -64.35 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.529 ' C ' ' CD2' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -71.08 -18.47 62.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -74.86 -38.13 62.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.7 t -66.14 -33.36 75.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.007 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -74.29 -27.56 60.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 111.023 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.525 HD11 ' CZ ' ' A' ' 56' ' ' PHE . 31.2 mt -67.47 -42.1 86.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -77.38 -14.54 59.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.606 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.86 -50.17 6.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.554 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 2.2 m -84.02 -48.81 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.478 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 135.51 -143.73 15.39 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.488 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 12.0 mt -126.51 56.07 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.488 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 78.7 m-85 -162.78 63.15 1.33 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.569 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.98 173.05 15.18 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.521 1.8 . . . . 0.0 110.953 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.404 ' C ' ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -123.39 162.18 23.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -45.81 -25.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.33 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -76.21 -49.35 17.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.36 -44.37 97.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.0 mt -59.64 -44.61 93.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.03 -42.9 73.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.641 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.8 m -64.54 -35.65 81.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.374 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.458 ' CD2' ' HB2' ' A' ' 22' ' ' LEU . 35.3 mt -72.26 -35.78 68.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 1.5 t -75.46 -17.0 60.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.25 -66.56 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -42.14 -40.81 2.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 9.2 mt -94.68 -28.75 15.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 3.2 t0 81.79 20.15 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.501 ' O ' ' CB ' ' A' ' 42' ' ' SER . 13.3 mt -95.4 163.47 21.5 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.569 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.3 Cg_endo -74.97 165.77 30.64 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.768 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt -69.77 -50.03 47.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.569 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.3 p-80 -49.83 -47.21 51.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.601 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.1 m -57.18 -54.23 49.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.365 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.477 ' CD1' ' O ' ' A' ' 48' ' ' PRO . 5.2 mt -60.68 -47.72 91.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 56' ' ' PHE . 79.1 mt -57.54 -60.45 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -42.14 -59.6 1.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.411 ' CD1' ' O ' ' A' ' 55' ' ' PHE . 1.4 t80 -52.16 -33.98 42.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.569 ' CE1' ' HG3' ' A' ' 33' ' ' PRO . 0.6 OUTLIER -76.23 -38.54 56.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.276 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.42 129.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 0.735 . . . . 0.0 110.011 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.01 160.7 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.35 174.46 38.76 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.6 p -175.36 135.04 0.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 0.728 . . . . 0.0 110.003 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -78.47 158.36 28.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.991 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.19 94.39 0.12 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.553 1.158 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 177.51 8.49 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.486 1.782 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 60.66 154.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.08 . . . . 0.0 110.276 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.3 p -158.87 131.07 6.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 109.966 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.47 111.37 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.2 t -144.03 163.33 33.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.421 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -148.16 87.87 1.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.495 ' CG2' ' HB2' ' A' ' 19' ' ' LEU . 14.1 mt -104.23 121.25 55.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.615 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 4.9 m -40.4 -47.28 2.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.973 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.615 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 154.43 -66.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.539 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -36.12 -83.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.539 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -28.65 -59.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.495 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 2.4 tp -48.61 -61.82 1.83 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -46.56 -51.12 12.91 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.594 1.184 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 37.2 mt -45.82 -75.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.453 ' HB2' ' CD2' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -45.9 -36.51 5.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -55.47 -42.7 74.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.2 t -61.24 -42.32 98.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.998 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.591 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -65.68 -29.4 69.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.565 HG12 ' CZ ' ' A' ' 56' ' ' PHE . 71.4 mt -68.55 -44.64 82.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -10.59 59.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.598 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -93.47 -54.99 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.568 HG21 ' CE1' ' A' ' 25' ' ' PHE . 3.0 m -78.87 -48.77 21.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.446 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 133.02 -113.51 1.25 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 46.5 mt -144.76 46.02 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.268 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -148.18 70.26 10.88 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 111.036 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.569 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.96 139.8 24.83 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.516 1.798 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.415 ' C ' ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -97.59 156.8 16.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -43.54 -26.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -78.63 -46.85 18.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.485 ' HB1' ' CZ ' ' A' ' 25' ' ' PHE . . . -60.19 -43.59 95.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.7 mt -60.65 -43.05 94.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -41.06 81.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.58 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.4 m -67.63 -37.0 81.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.403 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.453 ' CD2' ' HB2' ' A' ' 22' ' ' LEU . 97.0 mt -70.41 -37.85 74.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.47 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 2.2 t -73.74 -15.21 61.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.99 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.77 -67.56 0.84 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -41.59 -44.4 3.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.284 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 10.9 mt -91.1 -28.96 17.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 0.5 OUTLIER 81.14 22.3 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.454 ' O ' ' CB ' ' A' ' 42' ' ' SER . 14.0 mt -95.75 163.29 21.6 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.556 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.3 Cg_endo -75.02 160.07 40.55 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -63.64 -53.08 57.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.556 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.1 p-80 -48.88 -47.25 43.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.606 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -54.88 -60.73 2.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.373 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 42' ' ' SER . 3.9 mt -53.97 -48.44 63.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 96.3 mt -56.46 -60.66 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.85 -68.89 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.491 ' CE2' HD12 ' A' ' 19' ' ' LEU . 0.8 OUTLIER -37.33 -55.55 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.569 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 0.8 OUTLIER -49.98 -53.74 24.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -40.86 -41.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.269 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -58.47 -48.87 79.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 56' ' ' PHE . 59.4 mm-40 -55.24 -45.82 76.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -61.95 -56.73 16.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -45.45 -44.44 12.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -63.48 -63.54 1.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.634 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 71.5 t -49.26 122.4 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.93 -61.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 -57.42 -61.33 2.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.549 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.54 126.11 30.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.985 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -120.12 -151.85 8.84 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.456 1.097 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 175.91 10.59 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.792 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.1 m 56.33 101.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.102 . . . . 0.0 110.052 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.1 t -48.99 144.34 4.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.974 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.447 1.092 . . . . 0.0 111.028 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.1 -58.5 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 110.004 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 62.45 96.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.981 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.65 150.85 19.47 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 0.0 110.964 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.0 p -82.46 151.84 26.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 110.037 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.94 159.3 44.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 0.0 110.012 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.59 158.68 45.49 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.447 1.092 . . . . 0.0 111.031 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -50.21 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.477 1.777 . . . . 0.0 111.009 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 46.7 mtm180 51.07 97.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.2 m -87.2 84.68 7.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -131.76 112.96 12.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.313 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.0 t -157.9 148.37 20.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.382 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.49 69.49 1.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.501 ' CG2' ' HB2' ' A' ' 19' ' ' LEU . 20.3 mt -119.11 118.87 59.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.602 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 8.8 m -40.0 -48.34 2.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.98 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.602 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 155.07 -65.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.546 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.9 OUTLIER -36.25 -83.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.339 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.546 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -28.07 -63.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.508 ' CD1' ' CE2' ' A' ' 55' ' ' PHE . 2.4 tp -43.71 -62.59 1.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -55.03 -42.54 81.36 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.562 1.164 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.7 mt -53.96 -46.74 65.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 0.783 . . . . 0.0 109.353 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.05 -35.39 61.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -51.03 71.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.239 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.1 t -51.02 -40.69 58.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.586 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -67.29 -30.41 70.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 110.965 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.501 HG12 ' CE1' ' A' ' 56' ' ' PHE . 37.9 mt -68.42 -45.12 82.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.34 -9.27 58.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.552 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.03 -56.51 2.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.35 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.565 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 2.0 m -82.09 -49.4 17.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.489 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 136.39 -148.61 19.78 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.473 ' C ' ' CD2' ' A' ' 32' ' ' TYR . 4.2 mt -121.86 69.72 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.473 ' CD2' ' C ' ' A' ' 31' ' ' LEU . 1.4 p90 179.13 63.39 0.11 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.561 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.2 Cg_endo -75.06 172.44 16.35 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.527 1.803 . . . . 0.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.02 164.61 13.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -47.42 -24.06 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.4 -50.35 11.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.27 -39.48 83.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.402 ' CD1' HG12 ' A' ' 53' ' ' ILE . 2.9 mt -65.42 -41.31 90.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -38.36 77.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.609 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.6 m -69.25 -36.37 77.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.436 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.2 mt -70.6 -39.21 73.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.468 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 2.0 t -71.58 -16.08 62.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.971 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.29 -68.6 0.79 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -40.17 -42.62 1.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.277 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 11.1 mt -92.96 -29.23 15.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER 81.25 23.01 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.46 ' O ' ' CB ' ' A' ' 42' ' ' SER . 15.5 mt -97.41 162.8 21.35 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.549 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.2 Cg_endo -75.0 159.8 40.94 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -64.02 -52.57 58.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.549 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.0 p-80 -49.23 -43.4 42.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.596 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -59.96 -59.3 5.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.408 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.49 ' CD1' ' O ' ' A' ' 48' ' ' PRO . 3.3 mt -57.32 -48.68 82.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.402 HG12 ' CD1' ' A' ' 38' ' ' ILE . 82.4 mt -56.59 -60.52 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -42.51 -67.39 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.508 ' CE2' ' CD1' ' A' ' 19' ' ' LEU . 1.1 t80 -38.28 -58.27 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.561 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 1.1 m-85 -47.25 -53.49 13.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -46.74 -32.1 3.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -69.87 -41.46 74.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 56' ' ' PHE . 6.0 mm100 -59.62 -50.05 75.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -52.33 -58.38 6.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -46.31 -44.43 16.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 20.7 m-70 -59.11 -74.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.624 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.8 p -51.92 147.89 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.25 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.14 164.56 27.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 56.44 89.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.651 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.5 p -116.2 163.93 15.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.424 1.077 . . . . 0.0 109.973 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -58.47 -80.56 0.08 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 102.73 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.519 1.799 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.0 m -61.21 123.19 17.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.996 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.74 122.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.963 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.0 t -151.98 -60.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.786 . . . . 0.0 109.988 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.1 m 65.0 161.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.035 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.15 120.61 4.04 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.2 79.97 1.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 110.044 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.5 p -134.03 138.62 45.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.967 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.62 97.9 0.11 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 125.86 9.59 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.553 1.817 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.85 160.54 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.1 m -118.99 155.75 30.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -64.42 0.9 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.3 p -126.06 141.26 52.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.416 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.44 131.69 14.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.5 ' CG2' ' HB2' ' A' ' 19' ' ' LEU . 24.4 mt 61.65 119.48 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.614 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 4.1 m -39.46 -47.94 1.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.614 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 154.71 -66.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.536 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -36.11 -83.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.536 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -28.79 -60.92 0.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.5 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 2.8 tp -46.74 -61.85 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -51.54 -43.51 52.84 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 42.5 mt -54.75 -58.55 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.453 HD12 ' CD1' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -62.09 -37.98 87.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.415 ' N ' ' HG ' ' A' ' 22' ' ' LEU . 0.8 OUTLIER -53.61 -42.77 68.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.8 t -60.12 -42.08 94.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.581 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -65.64 -30.68 71.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.566 HG12 ' CE1' ' A' ' 56' ' ' PHE . 75.6 mt -68.28 -41.16 83.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -11.7 59.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.578 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -91.9 -54.1 4.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.569 HG23 ' CE1' ' A' ' 25' ' ' PHE . 3.8 m -80.75 -45.43 21.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 26' ' ' ILE . . . 130.63 -109.16 0.89 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.488 1.117 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.5 mt -146.84 43.72 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -146.6 74.62 12.47 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.951 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.564 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.97 133.56 16.78 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.467 1.772 . . . . 0.0 110.999 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.5 OUTLIER -89.41 151.31 22.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -40.61 -28.52 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -78.2 -48.52 15.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . . . -56.31 -43.15 78.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.9 mt -59.46 -46.0 93.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.29 -40.99 75.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.579 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.6 m -66.79 -35.91 81.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.393 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.2 mt -72.55 -37.3 68.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.47 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 2.0 t -73.57 -16.27 61.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.044 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.59 -67.45 0.85 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.112 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -41.83 -44.01 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.49 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 11.3 mt -91.42 -28.86 17.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 3.2 t0 81.23 21.17 0.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.429 ' O ' ' CB ' ' A' ' 42' ' ' SER . 15.2 mt -94.05 162.84 25.51 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.242 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.56 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.4 Cg_endo -75.01 159.5 41.26 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.497 1.788 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt -64.48 -50.84 65.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.56 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.0 p-80 -50.63 -45.79 57.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.605 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -56.81 -60.05 4.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.435 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 42' ' ' SER . 4.4 mt -53.53 -46.17 59.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.469 ' CG2' ' NE2' ' A' ' 57' ' ' GLN . 95.1 mt -59.95 -65.07 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' ILE . 3.4 mptm? -40.17 -59.69 1.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -47.07 -55.15 8.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.566 ' CE1' HG12 ' A' ' 26' ' ' ILE . 0.8 OUTLIER -53.39 -51.77 61.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.469 ' NE2' ' CG2' ' A' ' 53' ' ' ILE . 62.6 mt-30 -42.0 -48.32 4.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.412 ' OD1' ' CD2' ' A' ' 62' ' ' HIS . 44.8 t30 -52.24 -53.99 36.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -46.0 -51.94 12.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.58 -51.07 61.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -62.83 -37.22 85.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.962 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.558 ' CE1' ' HG2' ' A' ' 68' ' ' PRO . 39.1 m-70 -93.64 78.21 4.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.585 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.7 p -146.1 151.66 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.05 159.21 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -50.59 -56.11 13.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.632 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.5 p -40.02 -59.94 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 109.981 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -45.05 156.46 0.29 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.558 ' HG2' ' CE1' ' A' ' 62' ' ' HIS . 18.4 Cg_endo -75.02 150.94 38.81 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.478 1.778 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 77.3 p -87.38 130.11 34.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.37 116.4 24.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.424 1.078 . . . . 0.0 109.972 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 179.968 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.16 161.25 0.59 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.51 0.771 . . . . 0.0 109.99 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -177.53 166.0 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.019 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.87 -89.22 0.17 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.489 1.118 . . . . 0.0 110.963 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t 74.82 -58.42 0.58 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 0.784 . . . . 0.0 110.022 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.1 164.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 110.028 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.43 172.93 26.87 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 70.32 5.27 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.477 1.777 . . . . 0.0 111.046 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.14 149.42 31.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.326 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.5 t -72.61 113.96 10.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.984 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -130.98 171.15 13.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.295 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 t -62.63 -19.48 63.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.377 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.63 132.41 37.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.489 ' CG2' ' HB2' ' A' ' 19' ' ' LEU . 2.9 mp -67.02 123.73 20.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.576 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 3.1 m -39.06 -46.29 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.998 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.576 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 158.14 -71.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.537 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -35.32 -83.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.261 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.537 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -28.99 -51.96 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.631 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 1.0 OUTLIER -52.42 -71.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -42.51 -47.66 5.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.3 mt -46.2 -47.31 6.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.559 0.799 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.47 ' CD1' HD13 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -81.43 -39.87 24.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.424 ' N ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -54.72 -33.26 60.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.4 t -69.89 -52.45 24.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.998 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.586 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -55.82 -30.47 61.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 111.034 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.573 HG12 ' CE1' ' A' ' 56' ' ' PHE . 64.8 mt -66.32 -46.81 86.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -72.72 -10.57 59.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.605 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.75 -55.5 3.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.57 HG21 ' CE1' ' A' ' 25' ' ' PHE . 2.9 m -79.54 -49.38 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.474 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 136.51 -129.77 4.98 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.547 1.154 . . . . 0.0 111.018 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.0 mt -136.78 48.52 2.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.756 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.416 ' N ' ' HD3' ' A' ' 33' ' ' PRO . 89.2 m-85 -153.03 63.09 4.57 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.567 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.1 Cg_endo -75.07 174.63 12.47 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.473 1.775 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.424 ' C ' ' N ' ' A' ' 36' ' ' GLU . 22.1 m-20 -127.82 158.38 37.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -40.91 -28.49 0.08 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.352 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -74.89 -50.18 17.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.309 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . -59.59 -42.1 91.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.9 mt -63.41 -45.84 96.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -46.54 69.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.604 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.7 m -60.78 -35.4 76.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.458 ' CD2' ' HB2' ' A' ' 22' ' ' LEU . 65.3 mt -72.65 -35.92 67.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.467 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 3.2 t -75.47 -15.01 60.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.034 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -99.42 -67.18 0.86 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -41.32 -43.42 2.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 10.4 mt -92.24 -30.02 16.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 14.8 t0 82.06 22.17 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.415 ' O ' ' CB ' ' A' ' 42' ' ' SER . 15.6 mt -96.72 163.41 20.36 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.565 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.3 Cg_endo -75.01 161.15 39.19 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.567 1.825 . . . . 0.0 111.038 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.3 mtpt -65.44 -51.11 62.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.8 p-80 -50.14 -47.91 53.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.627 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.3 m -56.79 -55.49 33.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.412 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 42' ' ' SER . 4.9 mt -59.22 -46.33 92.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.3 mt -58.86 -58.3 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.45 -63.97 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.631 ' CE2' ' CD2' ' A' ' 19' ' ' LEU . 5.3 t80 -41.84 -61.41 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.573 ' CE1' HG12 ' A' ' 26' ' ' ILE . 1.8 m-85 -43.08 -54.91 4.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -46.24 -31.86 2.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.278 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -65.87 -41.79 91.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 56' ' ' PHE . 6.2 mm100 -60.81 -51.44 69.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 61' ' ' TYR . 80.5 mtt180 -51.25 -55.3 18.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.258 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 60' ' ' ARG . 0.8 OUTLIER -37.73 -56.83 1.04 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -105.48 99.08 8.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.571 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.5 p -144.71 143.34 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -136.02 103.56 5.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -170.34 63.16 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.125 . . . . 0.0 109.547 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.3 t -77.52 126.16 30.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.068 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -95.79 -123.85 4.31 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.549 1.155 . . . . 0.0 110.946 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 58.37 4.9 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.539 1.81 . . . . 0.0 110.972 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.0 t 65.16 92.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.029 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 85.8 p -70.85 133.11 46.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.04 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m 50.65 90.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 0.736 . . . . 0.0 110.013 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.9 p -118.76 159.21 24.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.978 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.13 154.92 9.88 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -170.9 158.68 5.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 0.766 . . . . 0.0 109.937 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.99 160.13 39.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.017 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.17 172.53 34.48 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.424 1.078 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 63.98 5.98 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.79 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 43.53 85.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.39 104.38 9.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.87 138.27 57.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.357 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 t -99.5 151.77 20.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.421 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.91 124.59 3.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.508 ' CG2' ' HB2' ' A' ' 19' ' ' LEU . 21.0 mt -125.66 119.9 56.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.61 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 4.1 m -40.28 -48.17 2.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.026 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.61 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 155.49 -65.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.532 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.9 OUTLIER -36.73 -83.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.532 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -29.21 -59.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.508 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 3.1 tp -47.19 -63.11 1.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -50.53 -44.33 46.21 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.4 mt -53.21 -56.39 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.454 ' HB2' ' CD2' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -66.09 -37.27 85.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -43.27 71.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.3 t -59.13 -37.91 78.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -71.07 -28.3 64.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 111.013 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.48 HG12 ' CE1' ' A' ' 56' ' ' PHE . 12.2 mt -67.63 -40.45 84.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.08 -10.92 59.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.629 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.79 -51.3 5.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.532 HG23 ' CZ ' ' A' ' 25' ' ' PHE . 1.5 m -88.26 -49.31 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.481 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 134.61 -116.29 1.58 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.454 1.096 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.2 mt -141.84 36.06 1.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 0.776 . . . . 0.0 109.259 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.402 ' N ' ' HD3' ' A' ' 33' ' ' PRO . 52.1 m-85 -133.12 63.96 68.45 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.555 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.98 129.01 11.95 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.495 1.787 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -85.13 154.41 22.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.251 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -42.05 -27.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -77.62 -47.5 19.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . -58.15 -40.07 80.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.4 mt -63.94 -45.33 97.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.1 . . . . 0.0 109.314 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -44.09 71.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.626 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.0 m -63.36 -37.2 86.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.379 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.454 ' CD2' ' HB2' ' A' ' 22' ' ' LEU . 85.2 mt -70.29 -39.46 74.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 1.3 t -71.5 -17.64 62.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.981 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.74 -68.1 0.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -41.27 -43.86 2.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.41 1.069 . . . . 0.0 110.32 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 11.1 mt -90.61 -30.18 17.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 8.7 t0 82.09 23.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.471 ' O ' ' CB ' ' A' ' 42' ' ' SER . 15.0 mt -98.64 163.0 19.83 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.562 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.2 Cg_endo -75.07 159.2 41.37 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.789 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -62.98 -53.96 45.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.4 p-80 -48.1 -44.24 31.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.596 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -58.63 -60.15 4.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.422 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.484 ' CD1' ' O ' ' A' ' 48' ' ' PRO . 3.2 mt -56.52 -39.6 63.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 56' ' ' PHE . 96.7 mt -64.16 -57.4 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.421 ' HA ' ' NE2' ' A' ' 57' ' ' GLN . 11.4 mttm -44.81 -43.92 9.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.504 ' CE2' ' CD1' ' A' ' 19' ' ' LEU . 1.9 t80 -62.58 -33.88 75.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.555 ' CE1' ' HG3' ' A' ' 33' ' ' PRO . 4.4 m-85 -84.23 -58.39 2.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.495 ' CG ' ' N ' ' A' ' 58' ' ' ASN . 2.0 pt20 -40.12 -46.61 2.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.495 ' N ' ' CG ' ' A' ' 57' ' ' GLN . 22.7 t30 -67.77 -50.25 58.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -39.92 -50.62 2.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 44.1 mtp180 -45.59 -51.12 12.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -65.12 -29.27 70.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -101.74 78.26 1.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.582 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.7 p -147.88 146.94 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.323 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -105.15 -71.53 0.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.72 106.68 18.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.589 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.2 99.31 3.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.015 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 51.39 -146.71 11.11 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 71.94 4.81 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 0.0 111.005 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.9 t 71.13 -67.02 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.038 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 52.78 94.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.014 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.451 1.095 . . . . 0.0 110.972 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.03 -59.01 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 0.799 . . . . 0.0 110.037 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.1 p -138.64 169.15 18.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.986 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.64 -137.38 4.81 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.34 -66.72 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.3 m 55.17 105.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.997 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.19 152.21 24.31 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.54 1.15 . . . . 0.0 110.953 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 126.05 9.68 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.513 1.796 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -172.85 -65.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 m -133.82 172.34 12.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.018 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.5 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -85.15 70.24 10.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.322 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -90.96 156.07 18.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.4 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -61.86 154.87 24.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.5 ' CG2' ' HB2' ' A' ' 19' ' ' LEU . 20.6 mt -74.78 120.04 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.615 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 5.0 m -38.99 -47.99 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.007 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.615 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 154.69 -66.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.535 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.3 mt-10 -36.08 -83.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.535 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -28.71 -60.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.559 ' CD1' ' CE2' ' A' ' 55' ' ' PHE . 2.4 tp -47.95 -61.65 1.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -53.46 -38.79 58.54 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 36.6 mt -59.24 -51.5 71.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.07 -36.15 74.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.44 -40.99 79.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.349 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.9 t -60.72 -40.67 93.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.016 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.599 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -68.05 -28.37 67.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.567 HG12 ' CE1' ' A' ' 56' ' ' PHE . 78.6 mt -69.57 -42.49 80.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.15 -12.51 60.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.584 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -92.42 -54.4 3.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.526 HG22 ' CE1' ' A' ' 25' ' ' PHE . 2.4 m -78.94 -47.78 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.45 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 132.78 -112.33 1.12 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.441 1.088 . . . . 0.0 111.011 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 49.3 mt -146.48 42.14 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.779 . . . . 0.0 109.272 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -144.83 71.67 15.13 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.57 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -74.93 138.7 23.56 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.788 . . . . 0.0 111.045 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -96.93 155.12 16.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -43.02 -27.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -78.8 -45.67 20.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.473 ' HB1' ' CZ ' ' A' ' 25' ' ' PHE . . . -61.01 -42.45 98.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.0 mt -62.18 -44.51 99.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.86 -41.68 74.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.596 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.3 m -66.73 -36.11 81.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.39 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 75.4 mt -71.58 -36.81 71.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.467 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 2.6 t -74.61 -15.13 60.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.974 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.99 -67.45 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -40.9 -46.35 2.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.318 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.495 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 11.7 mt -89.13 -29.34 19.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 5.3 t0 81.61 22.56 0.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.418 ' O ' ' CB ' ' A' ' 42' ' ' SER . 14.8 mt -96.26 163.59 20.41 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.562 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.2 Cg_endo -74.98 161.12 39.35 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.428 1.752 . . . . 0.0 111.012 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -65.51 -50.62 64.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.8 p-80 -50.72 -47.02 59.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.609 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -56.35 -60.0 4.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.411 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.497 ' CD1' ' O ' ' A' ' 48' ' ' PRO . 3.9 mt -54.42 -47.2 70.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.33 -59.21 3.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.18 -64.76 0.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.559 ' CE2' ' CD1' ' A' ' 19' ' ' LEU . 1.7 t80 -40.53 -56.58 2.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.57 ' CE1' ' HG3' ' A' ' 33' ' ' PRO . 2.4 m-85 -52.74 -56.23 17.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -39.54 -48.84 2.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.43 ' O ' ' CB ' ' A' ' 61' ' ' TYR . 56.0 t30 -60.31 -46.99 87.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -43.31 -60.78 1.56 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.22 -47.07 17.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.337 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.43 ' CB ' ' O ' ' A' ' 58' ' ' ASN . 3.8 t80 -44.91 -31.01 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.965 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -98.85 52.55 0.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.587 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 69.7 t -136.34 115.45 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.63 100.73 13.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.4 -61.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.564 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.16 100.54 10.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.971 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 138.96 90.62 0.21 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 87.58 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.86 142.97 3.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.962 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.9 p -165.64 -58.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.996 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 -179.964 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 p -175.6 -53.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 0.732 . . . . 0.0 110.017 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.79 164.53 26.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.042 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.23 146.09 4.26 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.07 143.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 0.747 . . . . 0.0 109.96 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.1 t -167.94 109.91 0.6 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.448 1.092 . . . . 0.0 109.955 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.45 157.35 1.5 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -56.05 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 62.01 165.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.268 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.5 t -102.02 -54.37 2.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.033 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -125.33 98.74 5.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.324 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.6 t -153.74 166.08 33.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.376 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.2 mttt 62.65 179.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.492 ' CG2' ' HB2' ' A' ' 19' ' ' LEU . 12.7 mt -55.52 124.31 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.609 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 2.9 m -43.37 -46.11 6.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.05 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.609 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 154.81 -67.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.535 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.0 mt-10 -36.61 -82.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.535 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -29.82 -56.4 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.492 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 2.9 tp -53.06 -63.66 1.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -47.37 -43.04 19.35 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.537 1.148 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 44.4 mt -54.01 -65.36 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 109.349 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.416 ' CD1' HD11 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -53.82 -35.07 61.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -39.83 81.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.6 t -62.63 -43.27 99.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.598 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -65.1 -27.65 68.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.57 HG12 ' CE1' ' A' ' 56' ' ' PHE . 96.5 mt -69.09 -42.96 82.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.07 -12.64 60.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.609 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.75 -51.96 5.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.567 HG23 ' CE1' ' A' ' 25' ' ' PHE . 3.2 m -82.35 -49.79 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.473 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 133.3 -108.81 0.77 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.549 1.156 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.5 mt -147.44 47.49 1.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -150.25 71.99 9.26 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.05 127.15 10.42 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -85.03 153.64 22.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -41.95 -27.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -78.05 -47.39 18.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.271 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 25' ' ' PHE . . . -58.24 -42.54 86.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.427 ' CD1' HG12 ' A' ' 53' ' ' ILE . 2.8 mt -61.25 -42.4 93.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -41.82 85.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.628 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.5 m -66.28 -37.38 85.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.383 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.9 mt -70.83 -38.75 73.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.451 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 2.1 t -72.3 -15.66 61.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.972 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.98 -68.42 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -40.61 -42.31 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.489 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 10.8 mt -93.35 -28.68 16.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 2.4 t0 80.9 22.08 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.447 ' O ' ' CB ' ' A' ' 42' ' ' SER . 14.3 mt -95.64 163.14 22.1 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.558 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.3 Cg_endo -75.01 159.22 41.59 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.483 1.781 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -62.86 -52.91 61.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.2 p-80 -49.26 -45.09 44.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.574 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.41 -60.85 2.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.451 ' CD1' ' HB2' ' A' ' 42' ' ' SER . 3.4 mt -54.75 -47.85 73.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.427 HG12 ' CD1' ' A' ' 38' ' ' ILE . 95.9 mt -56.99 -61.26 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.49 -71.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.489 ' CE2' HD13 ' A' ' 19' ' ' LEU . 3.0 t80 -37.5 -54.4 1.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.57 ' CE1' HG12 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -51.2 -52.74 41.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.13 . . . . 0.0 111.009 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -41.61 -34.62 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.285 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -68.76 -48.38 63.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 56' ' ' PHE . 38.5 mm-40 -49.83 -42.95 48.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -68.53 -61.19 1.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -39.75 -36.02 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -56.45 -55.75 29.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.584 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.8 p -74.28 146.37 10.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -110.99 -64.68 1.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -52.17 153.92 2.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.579 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 60.7 p -167.57 157.7 10.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.996 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -94.23 152.22 20.56 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.592 1.183 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 167.83 26.18 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.484 1.781 . . . . 0.0 111.008 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.7 p -158.52 -60.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.97 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.1 t -149.68 129.7 13.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.421 1.075 . . . . 0.0 110.067 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.472 1.108 . . . . 0.0 110.967 -179.947 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.9 p -144.5 157.77 44.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 110.01 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.52 -58.73 2.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.017 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.51 -175.72 45.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.454 1.096 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.93 102.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.748 . . . . 0.0 109.997 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.7 p -179.0 149.79 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.028 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.34 -76.34 0.42 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 145.24 31.23 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.546 1.813 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.91 120.91 12.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.356 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.6 m -115.22 107.73 15.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 110.071 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -90.23 109.55 20.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.274 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 t -73.61 -33.02 64.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.408 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.0 159.37 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.5 ' CG2' ' HB2' ' A' ' 19' ' ' LEU . 10.9 mt -101.44 120.12 50.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.607 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 3.6 m -39.13 -47.74 1.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.018 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.607 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 155.32 -66.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.548 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.4 mt-10 -36.17 -83.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.548 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -28.22 -58.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.5 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 2.3 tp -50.41 -62.64 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -50.23 -44.68 43.8 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.8 mt -51.69 -58.27 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.461 ' CD1' ' CD1' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -64.66 -38.25 90.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.39 -48.75 71.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.3 t -55.09 -43.14 73.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.113 . . . . 0.0 110.026 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.59 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -64.81 -30.79 71.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 111.023 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.498 HG12 ' CZ ' ' A' ' 56' ' ' PHE . 92.8 mt -66.95 -43.58 89.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.64 -10.52 59.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.594 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -93.11 -53.46 4.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.559 HG22 ' CE1' ' A' ' 25' ' ' PHE . 2.4 m -82.89 -49.72 16.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.484 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 138.77 -130.47 4.91 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.437 1.086 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 mt -138.56 58.84 1.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 0.756 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -171.17 64.34 0.4 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.956 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.565 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.05 172.25 16.73 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.514 1.797 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.49 165.36 13.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.592 1.183 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -47.65 -24.12 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.59 -51.0 11.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.259 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.26 -40.1 84.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.2 mt -64.09 -46.16 94.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -40.24 66.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.585 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.4 m -66.94 -36.68 82.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.385 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.2 mt -71.39 -38.87 71.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 1.4 t -72.07 -17.19 62.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.08 -68.09 0.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -40.14 -43.8 1.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.302 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.495 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 12.4 mt -91.78 -29.36 16.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 5.3 t0 81.9 23.6 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.247 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.495 ' O ' ' CB ' ' A' ' 42' ' ' SER . 18.2 mt -98.17 162.43 22.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.558 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.2 Cg_endo -75.04 161.9 37.9 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.536 1.809 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -65.84 -52.11 53.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.9 p-80 -49.21 -40.79 34.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.596 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.56 -59.01 5.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.387 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' A' ' 48' ' ' PRO . 3.2 mt -58.19 -43.87 86.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 80.1 mt -62.58 -61.5 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -41.74 -55.16 3.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.469 ' CE2' HD12 ' A' ' 19' ' ' LEU . 1.1 t80 -51.1 -49.69 60.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.565 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 1.2 m-85 -58.56 -44.3 89.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 111.041 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -50.56 -34.7 26.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -67.93 -52.62 34.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -46.05 -53.1 10.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.463 ' HA ' ' CG2' ' A' ' 63' ' ' VAL . 7.5 mtp85 -60.98 -48.07 83.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -55.68 -24.12 32.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.411 ' O ' ' N ' ' A' ' 64' ' ' LYS . 1.1 m-70 -91.17 -61.26 1.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.6 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.506 ' O ' ' CG2' ' A' ' 63' ' ' VAL . 8.1 m -51.47 94.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 62' ' ' HIS . 2.3 tmtm? -111.65 69.41 0.69 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.248 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -106.27 115.07 29.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.591 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.0 t -133.77 -60.15 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.987 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 157.48 -127.42 1.92 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.445 1.09 . . . . 0.0 111.032 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 81.18 2.27 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.468 1.772 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.63 93.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.024 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.79 113.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.976 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.525 1.14 . . . . 0.0 111.013 179.961 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t 67.33 149.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.972 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m 63.18 147.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.008 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.51 145.4 6.47 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.457 1.098 . . . . 0.0 111.044 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.8 p -142.87 -58.95 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 0.748 . . . . 0.0 110.005 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.57 156.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.025 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.27 -170.21 25.69 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.112 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 165.67 30.85 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.479 1.778 . . . . 0.0 110.949 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -65.76 112.31 3.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.0 141.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.983 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.9 42.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 110.257 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.0 t -165.22 141.96 5.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 110.393 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -167.9 33.82 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.501 ' CG2' ' HB2' ' A' ' 19' ' ' LEU . 24.7 mt -110.56 120.11 60.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.605 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 7.7 m -40.87 -47.73 2.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.019 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.605 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 155.28 -66.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.542 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.0 OUTLIER -36.38 -83.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.542 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -28.34 -60.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.617 ' CD1' ' CE2' ' A' ' 55' ' ' PHE . 2.4 tp -47.33 -62.24 1.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -51.07 -46.65 50.46 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.15 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 29.5 mt -49.37 -57.8 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.411 0.713 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.455 HD13 ' CD1' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -64.89 -35.39 80.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.91 -41.08 77.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.1 t -61.45 -39.89 92.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.0 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.6 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -68.9 -29.96 68.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.573 HG12 ' CE1' ' A' ' 56' ' ' PHE . 96.3 mt -66.17 -41.47 89.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.89 -13.5 59.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.565 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -90.46 -53.41 4.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.535 HG21 ' CE1' ' A' ' 25' ' ' PHE . 1.5 m -82.86 -45.6 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.431 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 129.25 -117.37 2.4 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.465 1.103 . . . . 0.0 110.985 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.8 mt -141.4 41.81 1.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 0.738 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -143.01 71.4 18.59 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.564 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -75.0 156.19 42.98 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.463 1.77 . . . . 0.0 110.983 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -116.23 157.24 25.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -44.03 -26.43 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -80.07 -44.32 20.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . -64.57 -43.76 92.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.5 mt -61.31 -40.4 85.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -45.86 90.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.622 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.4 m -62.67 -36.11 81.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.403 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.405 ' CD2' ' HB2' ' A' ' 22' ' ' LEU . 92.5 mt -71.9 -37.52 70.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.47 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 1.5 t -73.64 -16.77 61.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.989 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.9 -67.27 0.85 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -40.64 -45.87 2.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 11.8 mt -89.79 -29.97 18.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 5.4 t0 82.04 23.64 0.23 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.413 ' O ' ' CB ' ' A' ' 42' ' ' SER . 15.7 mt -97.89 162.78 21.09 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.557 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.3 Cg_endo -75.01 159.35 41.44 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.769 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -63.35 -53.26 55.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.557 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.2 p-80 -48.58 -46.21 38.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 109.575 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -58.34 -59.23 5.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.383 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.505 ' CD1' ' O ' ' A' ' 48' ' ' PRO . 3.7 mt -56.09 -46.14 80.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 96.4 mt -58.21 -58.55 5.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -40.67 -66.4 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.617 ' CE2' ' CD1' ' A' ' 19' ' ' LEU . 1.8 t80 -39.37 -59.43 1.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.573 ' CE1' HG12 ' A' ' 26' ' ' ILE . 1.7 m-85 -47.11 -53.88 11.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -47.21 -29.47 2.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -81.15 -35.96 30.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.576 ' OE1' ' CZ ' ' A' ' 55' ' ' PHE . 2.2 tp60 -56.81 -42.43 79.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -65.4 0.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -41.71 -41.04 2.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.945 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -54.75 -50.33 68.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.639 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.1 p -87.01 165.65 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.32 150.97 0.75 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -172.12 -58.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.589 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.52 134.26 40.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.996 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.98 120.34 9.57 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 155.58 42.9 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.455 1.766 . . . . 0.0 111.012 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 p -68.81 152.81 44.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.99 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.5 m -52.46 -57.15 10.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.976 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.461 1.101 . . . . 0.0 111.02 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 75.08 -59.01 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 109.993 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.1 p -104.7 93.28 4.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.951 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.21 73.12 1.2 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.45 1.094 . . . . 0.0 111.03 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 p -112.81 -57.24 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 110.029 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 m 68.39 161.47 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.989 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.25 -145.47 4.37 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 67.67 5.89 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.553 1.817 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.9 mtt85 -92.27 164.5 13.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.15 -58.72 3.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.973 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.05 129.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.71 58.21 1.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.433 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.2 mttt 66.22 -87.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.474 ' CG2' ' HB2' ' A' ' 19' ' ' LEU . 3.2 mp -60.96 115.27 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.54 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 4.0 m -39.05 -48.69 1.68 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.54 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 161.09 -69.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.573 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -36.46 -84.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.573 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -26.29 -54.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.474 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -44.87 -67.28 0.3 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 0.0 109.258 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -47.73 -47.41 24.38 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.487 1.117 . . . . 0.0 110.95 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.9 mt -50.16 -58.63 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.775 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.463 ' CD1' HD12 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -66.23 -24.44 66.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.63 -48.51 54.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.7 t -58.14 -41.68 84.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.977 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.571 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -61.1 -38.62 86.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 111.016 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.552 HD12 ' CZ ' ' A' ' 56' ' ' PHE . 1.8 mt -62.33 -44.63 99.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -72.8 -10.15 59.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.589 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.81 -57.52 2.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.571 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 3.9 m -82.13 -50.7 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.476 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 140.92 -142.15 11.96 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.475 1.109 . . . . 0.0 111.041 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.546 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 45.8 mt -129.06 58.98 1.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.771 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.546 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 89.6 m-85 -162.71 63.65 1.41 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.143 . . . . 0.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.03 169.94 21.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.514 1.797 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.415 ' C ' ' N ' ' A' ' 36' ' ' GLU . 0.8 OUTLIER -123.92 166.46 15.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -44.49 -26.02 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -77.4 -51.57 10.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.285 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.404 ' N ' ' HG2' ' A' ' 36' ' ' GLU . . . -58.18 -43.85 87.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.6 mt -61.58 -40.27 86.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -35.55 76.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.604 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.3 m -72.86 -33.22 65.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.351 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.6 mt -74.56 -36.52 63.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 1.1 t -72.87 -18.2 61.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.001 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.08 -67.81 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -40.74 -42.2 1.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.509 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 12.3 mt -92.98 -30.21 15.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 7.0 t70 82.64 23.75 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.485 ' O ' ' CB ' ' A' ' 42' ' ' SER . 16.7 mt -99.43 162.63 20.66 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.558 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.3 Cg_endo -74.95 162.07 37.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.486 1.782 . . . . 0.0 111.057 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -65.94 -51.89 54.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.7 p-80 -49.13 -51.5 31.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.58 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.8 m -53.9 -54.2 42.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.395 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.488 ' CD1' ' O ' ' A' ' 48' ' ' PRO . 5.8 mt -59.83 -51.45 72.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.351 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 95.0 mt -54.54 -60.15 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.53 -60.99 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.427 ' CZ ' HD13 ' A' ' 19' ' ' LEU . 2.2 t80 -43.41 -53.44 5.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.567 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 2.4 m-85 -55.19 -49.77 71.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -43.08 -31.44 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -80.95 -43.69 19.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 56' ' ' PHE . 2.9 mm100 -49.04 -55.65 11.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.271 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -39.08 -68.41 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 110.318 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -43.59 -40.65 4.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -84.61 79.58 9.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.564 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 50.7 t -154.57 131.3 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.77 153.77 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 76.32 -65.06 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.563 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.2 m -107.73 101.76 11.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.044 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -62.63 134.09 44.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 59.72 5.21 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.497 1.788 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 47.27 84.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.996 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.1 t -99.07 101.03 12.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.006 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 t -70.14 95.98 1.03 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.748 . . . . 0.0 110.011 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -167.99 133.96 1.97 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.028 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.43 -130.92 4.61 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.453 1.096 . . . . 0.0 110.962 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t 64.02 110.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 109.983 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.12 154.59 21.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.978 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.58 103.58 0.06 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.432 1.083 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -45.35 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.446 1.761 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.93 -58.13 0.66 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.324 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.4 p 40.07 86.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.002 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.05 -51.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -43.72 133.96 4.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.393 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -79.2 154.54 29.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.493 ' CG2' ' HB2' ' A' ' 19' ' ' LEU . 15.3 mt -66.27 124.51 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.617 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 4.9 m -42.46 -45.8 4.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 110.024 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.617 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 153.94 -67.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.542 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.2 mt-10 -36.16 -82.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.542 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -29.27 -57.36 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.493 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 2.4 tp -52.29 -68.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -45.34 -45.49 11.04 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 77.2 mt -49.28 -64.15 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.507 ' CD1' ' CD1' ' A' ' 26' ' ' ILE . 0.4 OUTLIER -61.73 -36.18 80.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.54 -49.17 77.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.326 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.9 t -55.66 -42.41 75.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.021 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.566 ' CZ ' HG22 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -61.75 -33.0 73.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.564 HD13 ' CZ ' ' A' ' 56' ' ' PHE . 1.8 mt -65.14 -44.15 95.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.85 -11.23 60.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.592 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.25 -58.22 2.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.566 HG22 ' CZ ' ' A' ' 25' ' ' PHE . 2.2 m -84.11 -49.85 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.483 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 139.35 -146.34 17.9 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.46 1.1 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.417 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 17.1 mt -124.66 56.27 1.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.777 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.419 ' N ' ' HD3' ' A' ' 33' ' ' PRO . 87.9 m-85 -158.22 62.88 2.48 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.978 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.576 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.99 177.85 8.04 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.545 1.813 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.43 ' C ' ' N ' ' A' ' 36' ' ' GLU . 16.4 m-20 -131.1 162.89 28.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -41.38 -28.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -76.93 -52.23 9.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 110.296 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.93 -41.0 81.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.7 mt -64.02 -45.74 95.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.01 -40.04 66.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.596 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.6 m -66.91 -36.91 83.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.408 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.9 mt -71.02 -36.41 72.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 1.7 t -75.09 -16.29 60.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.963 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.75 -66.78 0.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -42.2 -43.64 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.478 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 10.4 mt -91.86 -27.64 17.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.478 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 1.6 t70 79.96 22.62 0.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 42' ' ' SER . 16.0 mt -96.9 163.31 20.41 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.561 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.3 Cg_endo -75.0 159.22 41.63 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.511 1.795 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.3 mtpt -62.43 -54.03 46.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.561 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.3 p-80 -48.18 -48.47 34.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.605 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -53.01 -54.97 27.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.424 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.455 HD12 ' N ' ' A' ' 42' ' ' SER . 4.2 mt -61.79 -53.69 44.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 85.3 mt -50.67 -63.6 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.97 -65.42 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.515 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.7 OUTLIER -39.27 -63.41 0.55 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.576 ' CE1' ' HG3' ' A' ' 33' ' ' PRO . 2.2 m-85 -40.83 -57.54 1.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.061 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -40.01 -49.59 2.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 110.293 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -62.56 -43.38 98.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -46.92 -55.23 8.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.472 ' HA ' ' CG2' ' A' ' 63' ' ' VAL . 13.7 mtp180 -63.62 -60.3 3.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -42.08 -28.97 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -85.22 -61.04 1.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.598 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.472 ' CG2' ' HA ' ' A' ' 60' ' ' ARG . 11.2 m -60.16 160.3 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -147.31 -68.35 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -69.89 109.55 4.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.549 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.6 p -148.07 141.63 25.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 110.028 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.94 96.71 0.12 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.54 1.15 . . . . 0.0 111.032 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 86.91 1.37 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.453 1.765 . . . . 0.0 110.974 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.18 -53.43 3.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.23 86.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.003 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.937 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 179.956 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 p -108.09 141.68 39.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 0.791 . . . . 0.0 110.017 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.2 117.67 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.026 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.0 69.28 1.15 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.2 p -99.65 107.95 20.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 0.0 109.973 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 t -170.47 104.94 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 110.036 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.75 165.73 24.13 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.13 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 73.13 4.4 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.514 1.797 . . . . 0.0 110.984 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -146.86 115.47 6.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.093 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.0 m -79.75 141.34 36.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.036 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 11' ' ' ARG . 0.0 OUTLIER 51.87 93.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -179.14 130.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.412 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.4 mttm 62.14 115.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 19' ' ' LEU . 3.1 mp -47.27 112.13 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.522 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 4.4 m -39.37 -49.55 2.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.977 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.522 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 161.66 -69.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.56 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -36.5 -84.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.56 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -25.31 -53.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.469 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 0.0 OUTLIER -39.85 -71.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.5 -44.91 37.29 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.6 mt -51.76 -38.01 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 0.781 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.562 ' CD1' ' CD1' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -86.19 -35.79 19.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -48.45 81.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.5 t -49.28 -44.64 44.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.993 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.571 ' CE1' HG23 ' A' ' 29' ' ' VAL . 1.5 t80 -64.2 -46.64 83.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.576 HG12 ' CZ ' ' A' ' 56' ' ' PHE . 98.7 mt -53.51 -29.32 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -84.35 -21.87 30.76 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.621 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -83.23 -13.17 55.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.571 HG23 ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -128.23 -89.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 175.56 -112.75 0.41 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.5 mt -143.52 28.87 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.786 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.428 ' N ' ' HD3' ' A' ' 33' ' ' PRO . 90.7 m-85 -140.27 62.4 20.0 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -75.0 174.94 11.92 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -114.56 158.04 22.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -42.09 -29.81 0.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.409 ' HG2' ' N ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -71.2 -50.55 31.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . . . -60.36 -38.48 84.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.4 mt -67.06 -43.26 88.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.322 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.53 -41.11 76.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.568 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.1 m -66.01 -34.87 79.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 110.406 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.6 mt -73.98 -37.4 64.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.47 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 1.6 t -73.11 -16.72 61.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.998 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.3 -67.84 0.83 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -40.17 -44.02 1.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 11.0 mt -91.83 -29.26 16.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER 81.01 23.54 0.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.406 ' O ' ' CB ' ' A' ' 42' ' ' SER . 16.4 mt -97.77 162.33 22.73 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.548 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.4 Cg_endo -74.96 161.72 38.4 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -65.34 -53.34 45.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.257 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.548 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.9 p-80 -48.1 -43.68 31.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.63 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -60.89 -58.64 7.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.388 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.487 ' CD1' ' O ' ' A' ' 48' ' ' PRO . 3.8 mt -57.16 -44.29 83.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.61 -59.38 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -44.24 -65.04 0.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 1.9 t80 -42.69 -54.2 4.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.576 ' CZ ' HG12 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -47.81 -49.47 28.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -52.0 -32.05 32.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -68.12 -51.89 41.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -43.47 -56.21 3.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.341 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 -48.75 -59.19 3.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -57.15 -29.07 63.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -106.54 74.46 1.01 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.636 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.8 p -139.8 139.95 36.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.3 -63.99 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 50.6 m170 -71.51 125.99 28.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.619 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.0 t -85.32 120.15 26.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.026 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.84 -178.3 46.29 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.526 1.141 . . . . 0.0 110.958 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 103.61 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.525 1.803 . . . . 0.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.9 t -163.95 131.97 3.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 m -99.92 170.78 8.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 110.01 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.66 -57.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 0.769 . . . . 0.0 110.036 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.53 -56.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 109.995 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.19 172.08 17.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.527 1.142 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.0 p -160.95 -58.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 110.025 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 p -151.14 -59.18 0.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.13 168.9 19.35 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 113.11 3.72 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.529 1.805 . . . . 0.0 110.976 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 69.61 -68.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.0 t 75.75 115.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mtm105 -154.63 127.67 8.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.379 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.6 t -105.56 159.62 15.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.412 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -90.29 132.67 35.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.496 ' CG2' ' HB2' ' A' ' 19' ' ' LEU . 21.3 mt -88.18 119.69 35.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.604 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 8.7 m -39.33 -48.16 1.83 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.966 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.604 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 155.2 -66.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.539 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.7 mt-10 -36.16 -83.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.539 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -29.01 -59.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.496 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 2.9 tp -48.1 -63.6 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -50.35 -46.77 44.39 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.134 . . . . 0.0 111.035 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.406 HD12 ' N ' ' A' ' 18' ' ' ALA . 19.4 mt -48.3 -55.83 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.754 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.463 HD12 ' CD1' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -69.85 -31.82 69.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -62.72 -40.87 98.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.2 t -64.06 -40.34 96.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.998 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.568 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -65.39 -30.59 71.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.987 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.503 ' O ' ' CA ' ' A' ' 30' ' ' GLY . 2.7 mt -64.36 -40.4 88.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -80.05 -13.3 59.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 109.573 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -88.55 -50.24 6.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.56 HG23 ' CZ ' ' A' ' 25' ' ' PHE . 1.5 m -94.59 -48.92 12.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.503 ' CA ' ' O ' ' A' ' 26' ' ' ILE . . . 139.09 -141.66 12.09 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.53 1.143 . . . . 0.0 111.063 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.3 mt -128.16 46.67 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.753 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.405 ' N ' ' HD3' ' A' ' 33' ' ' PRO . 87.9 m-85 -147.34 63.79 8.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.57 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.2 Cg_endo -74.98 174.22 13.15 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.491 1.785 . . . . 0.0 110.992 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.418 ' C ' ' N ' ' A' ' 36' ' ' GLU . 0.8 OUTLIER -127.34 164.23 22.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -43.36 -26.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -77.8 -51.64 10.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.87 -41.87 83.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.5 mt -63.55 -40.93 90.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -38.05 78.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.637 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.7 m -69.9 -35.46 74.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.425 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.408 ' CD2' ' HB2' ' A' ' 22' ' ' LEU . 85.8 mt -71.78 -37.98 70.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 1.7 t -72.9 -16.41 61.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.98 -67.87 0.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -41.06 -42.12 1.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 11.7 mt -93.17 -29.74 15.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 2.0 t70 82.02 23.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 42' ' ' SER . 15.8 mt -98.15 163.22 19.73 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.563 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.2 Cg_endo -75.04 158.96 41.75 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.93 -54.41 42.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.563 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.4 p-80 -47.94 -49.25 30.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.616 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -52.61 -56.57 14.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.439 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 42' ' ' SER . 3.7 mt -60.81 -47.57 92.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 54' ' ' LYS . 41.4 mt -55.52 -66.46 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -40.3 -65.28 0.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.417 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 1.8 t80 -37.58 -61.64 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.57 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 1.2 m-85 -44.49 -53.55 6.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -39.42 -50.06 2.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -61.8 -44.85 96.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.4 OUTLIER -46.99 -58.5 3.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -42.2 -49.89 4.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -69.48 -34.17 73.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -99.58 89.27 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.593 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.431 ' CG2' ' HB2' ' A' ' 66' ' ' SER . 14.5 p -156.28 146.7 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.38 -70.28 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -103.82 75.6 1.31 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 109.61 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.431 ' HB2' ' CG2' ' A' ' 63' ' ' VAL . 0.5 OUTLIER -177.67 151.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 140.56 -117.34 1.26 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.501 1.125 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 132.95 16.03 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.489 1.783 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 85.0 p -125.6 110.75 14.2 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.031 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.5 m 60.05 152.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.969 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.4 p -71.46 111.06 6.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 0.79 . . . . 0.0 109.974 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.5 p -114.81 103.67 11.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.68 -134.23 1.13 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.446 1.091 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.97 109.34 18.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 0.744 . . . . 0.0 109.98 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -177.28 119.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.999 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.74 -123.74 1.19 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.509 1.131 . . . . 0.0 111.049 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 99.04 1.21 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.446 1.761 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.89 94.8 5.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 68.1 p -131.33 89.98 2.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.972 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -144.77 101.54 3.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.26 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.6 p -64.42 137.39 57.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.416 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -148.82 117.52 6.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.499 ' CG2' ' HB2' ' A' ' 19' ' ' LEU . 54.7 mt 61.4 120.58 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.621 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 4.2 m -38.6 -47.99 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.993 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.621 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 154.61 -66.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.534 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.6 mt-10 -36.16 -83.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 110.37 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.534 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -28.39 -60.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.499 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 2.3 tp -47.94 -62.7 1.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -50.11 -49.11 37.79 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.412 HD11 ' N ' ' A' ' 18' ' ' ALA . 18.2 mt -45.89 -60.31 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.545 0.791 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.461 ' HB2' ' CD2' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -63.92 -38.21 90.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.412 ' N ' ' HG ' ' A' ' 22' ' ' LEU . 4.4 tm0? -51.58 -36.02 43.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.1 t -65.76 -38.18 88.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.05 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.575 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -69.84 -30.68 68.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.448 ' CD1' HD12 ' A' ' 22' ' ' LEU . 59.6 mt -66.79 -39.8 84.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -78.45 -13.47 59.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.627 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -90.96 -52.21 4.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.563 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 2.5 m -82.75 -47.77 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.453 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 138.86 -87.71 0.21 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.518 1.136 . . . . 0.0 110.955 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.1 mt -151.55 -86.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 0.733 . . . . 0.0 109.36 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.445 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 7.5 p90 -37.52 97.84 0.14 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.972 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.558 ' HG3' ' CE2' ' A' ' 56' ' ' PHE . 18.1 Cg_endo -75.02 -164.77 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.448 1.762 . . . . 0.0 110.971 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -144.26 148.49 34.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.339 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -43.03 -27.01 0.17 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -82.2 -43.33 17.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.261 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.466 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . . . -65.53 -42.22 92.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.6 mt -61.42 -41.01 88.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.256 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -43.07 94.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.645 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.0 m -65.16 -38.75 91.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.427 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.461 ' CD2' ' HB2' ' A' ' 22' ' ' LEU . 76.0 mt -69.47 -39.27 77.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.472 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 1.4 t -71.61 -16.95 62.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.96 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.61 -68.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -40.72 -44.45 2.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 11.4 mt -90.86 -29.31 17.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 0.9 OUTLIER 81.66 22.35 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.461 ' O ' ' CB ' ' A' ' 42' ' ' SER . 16.3 mt -95.6 162.98 22.55 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.547 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.3 Cg_endo -75.03 160.65 39.82 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.437 1.757 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -64.82 -52.07 58.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.547 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.9 p-80 -49.6 -44.24 46.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.599 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -57.73 -58.74 7.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.407 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.472 ' CD1' ' HB2' ' A' ' 42' ' ' SER . 3.6 mt -57.5 -42.48 81.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 70.2 mt -59.95 -63.83 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.75 -59.09 1.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -47.04 -57.54 4.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.558 ' CE2' ' HG3' ' A' ' 33' ' ' PRO . 1.4 m-85 -48.19 -47.46 35.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -58.24 -26.09 62.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -92.66 27.03 2.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.559 ' HA ' ' CE1' ' A' ' 62' ' ' HIS . 3.7 tm0? -113.67 -56.13 2.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.28 -16.97 9.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.554 ' CE1' ' HB3' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -82.79 -22.39 34.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 111.042 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.559 ' CE1' ' HA ' ' A' ' 59' ' ' GLN . 1.1 p-80 -115.79 3.63 13.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.574 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 62' ' ' HIS . 6.3 p -40.43 154.94 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 63' ' ' VAL . 0.2 OUTLIER -40.52 -66.15 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.272 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -50.07 154.47 1.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.586 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.6 p -177.94 131.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 110.032 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -122.03 79.67 0.34 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 96.75 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.482 1.78 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.1 t -101.9 -62.13 1.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 110.035 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.1 p 49.93 78.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.014 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.462 1.101 . . . . 0.0 111.015 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.7 p -166.15 161.24 16.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 109.96 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.66 82.67 6.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.991 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.58 168.8 7.19 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -164.96 125.31 1.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 110.036 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m 62.05 171.59 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.985 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.67 -178.56 33.05 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.125 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 155.23 43.32 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.537 1.809 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -163.97 144.52 8.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.085 . . . . 0.0 110.359 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.8 m 63.54 109.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.007 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -154.37 120.28 5.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.263 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 t -112.5 161.57 16.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.421 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.49 -77.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.49 ' CG2' ' HB2' ' A' ' 19' ' ' LEU . 3.7 mp -82.1 127.91 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.613 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -39.24 -44.73 1.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.013 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.613 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 155.2 -71.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.536 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.2 mt-10 -35.58 -82.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.536 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -29.3 -50.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.631 ' CD2' ' CE2' ' A' ' 55' ' ' PHE . 1.0 OUTLIER -57.06 -73.42 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -42.89 -35.77 2.34 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.558 1.161 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 44.1 mt -59.26 -53.48 47.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 0.743 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.47 ' CD1' HD12 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -73.93 -36.8 64.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.406 ' N ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -57.24 -41.74 80.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.3 t -63.65 -50.25 70.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.995 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CD2' HG12 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -52.95 -36.62 60.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 111.037 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.565 HD12 ' CZ ' ' A' ' 56' ' ' PHE . 1.9 mt -61.24 -47.89 91.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -71.84 -9.64 58.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.608 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.41 -59.26 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.562 HG12 ' CD2' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -82.32 -49.96 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.17 . . . . 0.0 109.339 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.513 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . 143.38 -148.58 20.38 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.504 1.127 . . . . 0.0 111.04 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.475 ' CD2' ' CG2' ' A' ' 26' ' ' ILE . 5.3 mt -127.54 57.68 1.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 0.744 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.513 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 0.5 OUTLIER -163.76 63.4 1.18 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.571 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -74.99 174.21 13.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.503 1.791 . . . . 0.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -122.39 168.28 12.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -47.41 -23.89 0.69 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.404 ' HG2' ' N ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -79.76 -51.99 8.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.307 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.404 ' N ' ' HG2' ' A' ' 36' ' ' GLU . . . -58.13 -40.21 80.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 mt -63.96 -44.41 97.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -39.91 71.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.605 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.2 m -67.41 -34.68 77.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.403 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.6 mt -73.3 -35.8 66.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.477 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 2.0 t -75.08 -15.91 60.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.033 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.63 -67.05 0.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -41.45 -43.0 2.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 9.9 mt -92.6 -29.93 15.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER 82.17 21.52 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.441 ' O ' ' CB ' ' A' ' 42' ' ' SER . 14.8 mt -96.5 163.18 21.1 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.573 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.2 Cg_endo -75.05 162.54 36.83 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -65.8 -52.13 53.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.573 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.7 p-80 -48.82 -52.68 22.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.556 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.3 m -52.91 -49.99 64.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.426 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.477 ' CD1' ' HB2' ' A' ' 42' ' ' SER . 8.2 mt -63.26 -53.18 49.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 95.5 mt -53.47 -59.19 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.13 -64.99 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.631 ' CE2' ' CD2' ' A' ' 19' ' ' LEU . 7.0 t80 -44.33 -52.01 7.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.571 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 2.0 m-85 -55.6 -53.63 54.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -41.04 -48.41 3.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -65.87 -48.88 70.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.08 -54.89 2.2 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 110.348 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -44.78 -60.45 2.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.442 ' CE2' ' CE1' ' A' ' 62' ' ' HIS . 51.0 t80 -53.3 -34.72 58.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 111.027 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.442 ' CE1' ' CE2' ' A' ' 61' ' ' TYR . 78.1 m-70 -102.63 87.92 3.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.621 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.3 p -151.13 131.73 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.95 90.31 3.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 45.92 82.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.599 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.24 132.04 42.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 110.036 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.52 -145.86 49.08 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.449 1.093 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 64.1 6.04 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 0.0 110.982 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.1 t -102.71 94.39 5.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.7 p -133.31 109.65 9.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.939 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 179.946 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -135.13 -58.45 0.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.764 . . . . 0.0 109.949 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.51 133.81 34.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.963 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.61 159.64 32.09 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.117 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 t -77.03 -59.73 2.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 110.016 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 t -153.05 -60.73 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.83 -175.1 45.9 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 137.23 21.41 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.483 1.781 . . . . 0.0 110.952 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.59 122.61 44.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.0 p -110.28 167.75 9.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.03 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.542 ' O ' ' CG2' ' A' ' 12' ' ' THR . 0.0 OUTLIER -141.14 162.21 36.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.542 ' CG2' ' O ' ' A' ' 11' ' ' ARG . 11.8 t 53.96 165.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.394 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.8 tttm -142.53 95.65 2.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.49 ' CG2' ' HB2' ' A' ' 19' ' ' LEU . 24.0 mt -55.76 123.13 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.624 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 2.5 m -38.94 -46.82 1.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.035 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.624 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 153.63 -66.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.52 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.5 mt-10 -36.27 -83.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.52 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -28.91 -58.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.49 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 2.4 tp -51.7 -67.56 0.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -47.24 -43.22 18.68 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.447 1.092 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.7 mt -52.47 -61.83 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.526 0.78 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.445 ' HB2' ' CD2' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -63.11 -36.47 83.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.06 -41.36 68.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.2 t -61.45 -39.53 91.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.604 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -68.94 -27.55 65.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.575 HG12 ' CE1' ' A' ' 56' ' ' PHE . 67.1 mt -69.46 -42.0 80.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.41 -12.69 60.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.612 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.9 -53.61 4.2 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.567 HG23 ' CE1' ' A' ' 25' ' ' PHE . 2.3 m -81.22 -45.4 20.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 26' ' ' ILE . . . 127.59 -114.19 1.85 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.9 mt -144.03 49.16 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 0.725 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -149.85 67.96 8.76 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.574 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.05 138.0 22.34 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.469 1.773 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -96.67 155.99 16.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -43.15 -26.81 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.345 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -78.36 -44.65 24.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . -62.89 -42.98 99.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.7 mt -62.69 -42.98 98.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -35.99 72.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.609 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.4 m -72.57 -34.01 67.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.441 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.445 ' CD2' ' HB2' ' A' ' 22' ' ' LEU . 92.5 mt -75.04 -34.56 61.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.477 ' N ' HD12 ' A' ' 52' ' ' ILE . 2.6 t -75.72 -14.9 60.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.046 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -100.47 -67.28 0.86 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -40.56 -41.62 1.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 11.7 mt -95.1 -29.64 14.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 4.3 t0 82.3 21.31 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.8 mt -94.49 162.64 25.29 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.558 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.4 Cg_endo -75.05 159.43 41.2 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -63.95 -52.52 59.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.0 p-80 -48.97 -48.68 43.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.649 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -55.01 -52.89 61.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.403 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.477 HD12 ' N ' ' A' ' 42' ' ' SER . 9.0 mt -62.98 -47.11 94.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 91.7 mt -57.38 -63.07 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -41.6 -69.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.9 OUTLIER -37.42 -56.45 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.575 ' CE1' HG12 ' A' ' 26' ' ' ILE . 0.6 OUTLIER -49.36 -56.63 8.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -41.93 -42.76 2.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -63.95 -47.99 78.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -42.14 -50.99 4.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -54.35 -62.03 1.92 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -39.46 -59.91 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -95.86 99.23 11.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.602 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.6 p -141.96 147.78 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.418 ' HD2' ' CD2' ' A' ' 65' ' ' HIS . 0.9 OUTLIER -67.21 157.72 33.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.418 ' CD2' ' HD2' ' A' ' 64' ' ' LYS . 20.7 m170 68.29 166.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.593 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.9 163.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.987 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -124.24 121.96 4.62 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.556 1.16 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -50.14 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.512 1.796 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.3 m -151.42 151.83 32.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.997 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.5 m -62.93 163.05 10.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.982 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 m -63.33 139.09 58.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 109.981 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.96 159.02 41.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.013 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.07 87.48 0.06 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.18 93.89 2.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 0.788 . . . . 0.0 109.998 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.81 150.55 50.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.034 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.61 169.09 25.91 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.488 1.118 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -171.73 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.466 1.772 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.04 139.8 47.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.337 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.0 t -133.87 151.51 51.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 110.023 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.02 134.29 52.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.5 t -64.96 150.93 47.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.438 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -174.48 116.5 0.2 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.485 ' CG2' ' HB2' ' A' ' 19' ' ' LEU . 4.0 mp -128.77 123.48 59.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.565 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 1.1 m -39.34 -46.01 1.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.565 ' CB ' ' O ' ' A' ' 15' ' ' SER . 8.9 tp 159.02 -70.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.556 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -36.09 -83.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 110.277 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.556 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -27.78 -47.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.566 HD21 ' CZ ' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -61.96 -75.61 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -41.46 -26.72 0.24 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.42 ' N ' ' C ' ' A' ' 19' ' ' LEU . 19.9 mt -67.62 -64.2 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.767 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.53 ' C ' ' CD2' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -70.65 -18.83 62.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.438 ' N ' HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -74.05 -35.88 64.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.268 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.4 t -68.52 -34.52 76.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.023 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.604 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -73.21 -27.5 61.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.568 HG12 ' CE1' ' A' ' 56' ' ' PHE . 44.3 mt -68.72 -45.1 81.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -73.24 -13.46 61.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.637 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.23 -55.87 3.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.567 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 2.1 m -76.63 -47.55 28.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.461 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 133.85 -140.98 12.26 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.469 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 12.6 mt -129.28 56.75 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 0.782 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.469 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 77.8 m-85 -162.38 63.15 1.41 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.567 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.98 173.28 14.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.466 1.772 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' A' ' 36' ' ' GLU . 7.0 m-20 -124.56 163.24 22.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.085 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -46.65 -24.42 0.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -77.86 -50.37 12.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.42 -46.19 89.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.6 mt -57.97 -47.86 85.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -51.72 -44.03 63.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.608 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.0 m -63.06 -36.0 82.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.431 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.464 ' CD2' ' HB2' ' A' ' 22' ' ' LEU . 52.9 mt -72.67 -34.11 67.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 1.9 t -78.36 -14.5 59.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.013 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -99.28 -66.17 0.92 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -41.05 -41.46 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.464 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 10.2 mt -96.04 -26.17 15.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.464 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 6.2 t0 79.4 20.21 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.469 ' O ' ' CB ' ' A' ' 42' ' ' SER . 16.6 mt -93.43 162.91 26.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.563 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.6 Cg_endo -74.94 163.92 34.47 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.458 1.768 . . . . 0.0 111.041 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -68.19 -50.95 50.96 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.445 1.09 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.563 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.6 p-80 -49.49 -42.19 42.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.581 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.3 m -61.03 -58.6 7.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.372 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.45 ' CD1' ' HB2' ' A' ' 42' ' ' SER . 3.8 mt -57.38 -49.55 79.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 85.1 mt -58.02 -58.19 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.11 -55.77 3.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.566 ' CZ ' HD21 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -53.95 -46.73 71.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.568 ' CE1' HG12 ' A' ' 26' ' ' ILE . 1.2 m-85 -57.67 -46.03 84.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -49.69 -39.64 37.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -63.08 -52.44 62.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -43.42 -62.77 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.337 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -50.49 -67.38 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -39.88 -58.33 1.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -47.72 -63.74 0.98 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.631 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 62.0 t -49.79 129.37 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.092 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.46 -64.02 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -115.47 128.06 55.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.57 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.63 -58.06 1.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.019 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -174.95 -85.36 0.06 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 98.07 1.13 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.493 1.786 . . . . 0.0 111.033 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.4 m -72.34 158.36 35.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.953 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.58 162.2 1.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.023 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 -179.955 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.92 127.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.763 . . . . 0.0 110.038 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.76 157.88 17.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.018 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.67 131.14 2.97 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.84 -57.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 0.777 . . . . 0.0 109.988 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.58 133.39 16.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.99 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.11 76.94 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.533 1.146 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -56.95 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.57 156.92 14.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.87 148.24 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.024 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -92.73 93.03 8.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.268 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.9 p 38.84 72.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.386 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -126.43 100.73 6.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.479 ' CG2' ' HB2' ' A' ' 19' ' ' LEU . 5.1 mt -120.27 127.27 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.594 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 3.8 m -42.72 -44.31 4.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.011 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.594 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 156.14 -69.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.554 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.1 mt-10 -36.69 -82.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.554 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -28.45 -49.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.495 ' O ' ' CD1' ' A' ' 22' ' ' LEU . 1.7 tp -64.05 -74.7 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 16' ' ' LEU . . . -40.45 -27.74 0.17 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.54 1.15 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.42 ' N ' ' C ' ' A' ' 19' ' ' LEU . 48.5 mt -66.62 -65.94 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.524 ' C ' ' CD2' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -68.97 -18.57 64.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.173 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.439 ' N ' HD11 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -73.76 -35.01 64.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.105 . . . . 0.0 110.292 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.2 t -69.73 -32.22 70.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 110.067 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.585 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -75.75 -27.36 58.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.527 HG12 ' CE1' ' A' ' 56' ' ' PHE . 16.9 mt -67.94 -40.49 83.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -78.56 -15.01 59.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.167 . . . . 0.0 109.591 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -89.02 -48.36 7.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.527 HG13 ' CD2' ' A' ' 25' ' ' PHE . 2.4 m -86.18 -49.61 15.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.488 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 135.53 -139.19 10.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.409 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 16.5 mt -129.46 55.09 1.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.422 ' N ' ' HD3' ' A' ' 33' ' ' PRO . 84.9 m-85 -160.04 62.57 1.87 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.558 1.161 . . . . 0.0 110.972 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.565 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.2 Cg_endo -75.01 176.11 10.35 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.507 1.793 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.78 164.53 21.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -47.52 -23.84 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.9 -52.34 9.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.97 -44.52 87.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 mt -60.17 -44.33 95.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.22 -41.3 71.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.616 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.3 m -66.18 -35.45 80.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.381 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 22' ' ' LEU . 31.4 mt -72.89 -34.32 66.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 1.3 t -77.63 -17.22 57.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.63 -65.91 0.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -42.12 -40.85 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.479 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 8.0 mt -95.42 -26.86 15.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.353 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.479 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 7.0 t0 80.48 19.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.504 ' O ' ' CB ' ' A' ' 42' ' ' SER . 14.8 mt -93.08 163.63 24.57 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.565 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.4 Cg_endo -74.95 161.39 38.96 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.509 1.794 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -65.01 -52.18 57.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.8 p-80 -49.21 -47.62 46.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.605 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -53.53 -53.67 48.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.41 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 42' ' ' SER . 3.8 mt -64.37 -46.31 93.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 58.9 mt -56.37 -64.69 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.79 -60.3 1.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.5 OUTLIER -45.11 -53.05 8.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 111.03 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.565 ' CE1' ' HG3' ' A' ' 33' ' ' PRO . 1.2 m-85 -54.2 -52.52 60.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -41.32 -53.95 3.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -57.92 -41.45 82.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -56.54 -45.79 80.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.75 -63.49 1.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -37.91 -54.61 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -43.78 -59.71 2.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.572 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 48.2 t -58.59 113.17 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.2 mtpt -144.93 144.69 31.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.431 ' H ' ' CD2' ' A' ' 65' ' ' HIS . 0.5 OUTLIER -98.87 72.68 1.95 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.607 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.61 158.02 2.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.005 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -145.95 -84.7 0.06 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -50.43 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.518 1.799 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.62 130.56 43.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.046 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.17 -58.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.513 1.133 . . . . 0.0 110.948 -179.959 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.86 127.48 13.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 110.024 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 p -177.49 168.38 2.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 110.015 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.9 163.24 25.29 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.05 146.6 15.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 0.729 . . . . 0.0 109.983 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.0 p -178.23 137.86 0.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 110.014 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.97 157.68 16.19 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 179.65 5.89 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.799 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.4 90.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.255 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.07 116.15 30.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -169.11 151.32 4.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.49 ' O ' ' CD2' ' A' ' 47' ' ' LEU . 1.4 t -56.44 -27.86 57.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.409 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.51 160.56 13.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.501 ' CG2' ' HB2' ' A' ' 19' ' ' LEU . 7.7 mt -55.36 -54.97 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.155 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.43 -65.98 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.007 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 19' ' ' LEU . 0.6 OUTLIER -177.86 -73.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.272 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.509 ' O ' ' C ' ' A' ' 18' ' ' ALA . 10.4 tt0 -32.25 -81.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.509 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -31.74 -49.52 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.569 HD12 ' CZ ' ' A' ' 55' ' ' PHE . 1.1 tp -41.76 -74.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 23' ' ' GLN . . . -43.98 -54.36 6.08 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.474 1.109 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' GLY . 41.2 mt -40.51 -47.13 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.5 0.765 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.432 HD12 ' CD1' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -80.94 -33.76 33.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 20' ' ' GLY . 0.2 OUTLIER -59.74 -40.52 88.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.346 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.0 t -59.42 -41.14 88.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -67.56 -29.6 69.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 110.974 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.565 HG12 ' CE1' ' A' ' 56' ' ' PHE . 86.3 mt -68.68 -42.0 82.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.21 -12.15 60.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.628 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.89 -52.53 4.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.55 HG21 ' CE1' ' A' ' 25' ' ' PHE . 2.9 m -81.44 -48.45 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.452 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 132.29 -107.53 0.72 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 39.6 mt -147.75 40.59 1.0 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -142.39 72.58 21.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.568 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.01 133.12 16.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 111.025 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -94.92 153.66 17.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -42.29 -27.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.26 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -76.74 -46.54 24.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.563 ' HB1' ' CZ ' ' A' ' 25' ' ' PHE . . . -62.5 -42.83 99.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.9 mt -61.87 -41.09 89.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -36.79 76.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.627 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.5 m -72.45 -33.91 67.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.387 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -74.47 -36.34 63.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.468 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 1.6 t -73.85 -16.8 61.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.28 -67.36 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -41.04 -44.87 2.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.256 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 12.5 mt -90.78 -29.64 17.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 3.8 t0 82.05 24.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 12' ' ' THR . 15.0 mt -97.7 162.85 20.98 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.556 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.3 Cg_endo -75.07 159.71 40.78 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.466 1.771 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -63.68 -52.88 58.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.556 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.2 p-80 -49.02 -47.55 44.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.635 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -54.99 -60.32 3.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 110.403 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 42' ' ' SER . 4.6 mt -53.19 -48.05 55.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 87.9 mt -57.86 -58.45 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -43.46 -65.49 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.569 ' CZ ' HD12 ' A' ' 19' ' ' LEU . 2.7 t80 -40.96 -52.87 3.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.568 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 1.1 m-85 -54.39 -53.94 47.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.937 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -39.46 -40.94 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 110.281 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -64.65 -50.79 65.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.6 OUTLIER -45.82 -53.86 8.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -54.26 -64.62 0.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -40.23 -50.03 2.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -53.64 -76.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.597 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.2 p -52.26 151.81 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -126.55 -62.15 1.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -116.98 -65.58 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 109.586 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 69.9 -68.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.977 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -135.66 97.76 0.28 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.525 1.14 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 98.18 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.463 1.77 . . . . 0.0 111.031 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 89.4 p -135.8 94.59 3.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.016 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.8 t -74.02 85.71 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.997 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.127 . . . . 0.0 110.946 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.04 166.34 33.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 110.005 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.2 t -135.24 -58.31 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.66 -175.91 51.23 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.459 1.099 . . . . 0.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.45 149.43 21.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 0.761 . . . . 0.0 110.006 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.4 p -117.01 93.37 4.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.017 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.81 86.66 0.18 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.134 . . . . 0.0 110.966 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 107.49 2.5 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.479 1.779 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.47 -52.89 1.81 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -80.98 -55.04 5.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.979 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 66.14 -76.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 10' ' ' SER . 17.0 p -127.06 86.21 2.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.362 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.87 41.66 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.484 ' CG2' ' HB2' ' A' ' 19' ' ' LEU . 5.0 mp -112.91 126.39 70.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.562 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -39.44 -44.79 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.009 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.562 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 158.51 -73.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.535 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.9 mt-10 -35.18 -82.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.535 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -29.09 -45.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.484 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 0.9 OUTLIER -60.7 -77.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -40.91 -27.11 0.17 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.447 1.092 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 19' ' ' LEU . 36.9 mt -67.81 -64.35 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.529 ' C ' ' CD2' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -71.08 -18.47 62.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -74.86 -38.13 62.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.7 t -66.14 -33.36 75.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.007 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -74.29 -27.56 60.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 111.023 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.525 HD11 ' CZ ' ' A' ' 56' ' ' PHE . 31.2 mt -67.47 -42.1 86.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -77.38 -14.54 59.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.606 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.86 -50.17 6.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.554 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 2.2 m -84.02 -48.81 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.478 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 135.51 -143.73 15.39 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.488 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 12.0 mt -126.51 56.07 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.488 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 78.7 m-85 -162.78 63.15 1.33 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.569 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.98 173.05 15.18 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.521 1.8 . . . . 0.0 110.953 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.404 ' C ' ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -123.39 162.18 23.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -45.81 -25.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.33 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -76.21 -49.35 17.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.36 -44.37 97.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.0 mt -59.64 -44.61 93.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.03 -42.9 73.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.641 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.8 m -64.54 -35.65 81.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.374 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.458 ' CD2' ' HB2' ' A' ' 22' ' ' LEU . 35.3 mt -72.26 -35.78 68.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 1.5 t -75.46 -17.0 60.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.25 -66.56 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -42.14 -40.81 2.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 9.2 mt -94.68 -28.75 15.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 3.2 t0 81.79 20.15 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.501 ' O ' ' CB ' ' A' ' 42' ' ' SER . 13.3 mt -95.4 163.47 21.5 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.569 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.3 Cg_endo -74.97 165.77 30.64 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.768 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt -69.77 -50.03 47.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.569 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.3 p-80 -49.83 -47.21 51.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.601 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.1 m -57.18 -54.23 49.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.365 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.477 ' CD1' ' O ' ' A' ' 48' ' ' PRO . 5.2 mt -60.68 -47.72 91.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 56' ' ' PHE . 79.1 mt -57.54 -60.45 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -42.14 -59.6 1.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.411 ' CD1' ' O ' ' A' ' 55' ' ' PHE . 1.4 t80 -52.16 -33.98 42.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.569 ' CE1' ' HG3' ' A' ' 33' ' ' PRO . 0.6 OUTLIER -76.23 -38.54 56.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -59.16 -26.51 64.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -76.29 -44.13 38.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -48.84 -45.4 40.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.51 -67.37 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.087 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -37.96 -42.12 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -63.95 -81.11 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.568 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.8 p -44.43 149.31 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.69 -66.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -59.26 153.11 19.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.615 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.6 m 58.04 158.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -146.67 153.95 25.67 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 56.36 4.23 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.474 1.776 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.5 m -158.81 111.0 2.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.018 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.8 m -72.96 -55.92 5.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.041 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.476 1.11 . . . . 0.0 110.978 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.539 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -36.12 -83.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.711 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -28.65 -59.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.478 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 2.4 tp -48.61 -61.82 1.83 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -46.56 -51.12 12.91 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.594 1.184 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' ' 18' ' ' ALA . 37.2 mt -45.82 -75.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.857 ' HB3' HD11 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -45.9 -36.51 5.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -55.47 -42.7 74.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.2 t -61.24 -42.32 98.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.998 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.599 ' CE2' HG11 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -65.68 -29.4 69.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.582 HD11 ' CD1' ' A' ' 22' ' ' LEU . 71.4 mt -68.55 -44.64 82.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -10.59 59.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.598 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -93.47 -54.99 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.599 HG11 ' CE2' ' A' ' 25' ' ' PHE . 3.0 m -78.87 -48.77 21.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.518 ' O ' HG23 ' A' ' 26' ' ' ILE . . . 133.02 -113.51 1.25 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 46.5 mt -144.76 46.02 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.268 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -148.18 70.26 10.88 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 111.036 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.569 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.96 139.8 24.83 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.516 1.798 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.415 ' C ' ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -97.59 156.8 16.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -43.54 -26.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -78.63 -46.85 18.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.468 ' HB1' ' CZ ' ' A' ' 25' ' ' PHE . . . -60.19 -43.59 95.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.579 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.7 mt -60.65 -43.05 94.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -41.06 81.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.58 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.4 m -67.63 -37.0 81.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.403 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.843 HD22 ' HB2' ' A' ' 22' ' ' LEU . 97.0 mt -70.41 -37.85 74.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.693 ' HA ' HD11 ' A' ' 52' ' ' ILE . 2.2 t -73.74 -15.21 61.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.99 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.77 -67.56 0.84 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -41.59 -44.4 3.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.284 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.857 HD11 ' HB3' ' A' ' 22' ' ' LEU . 10.9 mt -91.1 -28.96 17.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 0.5 OUTLIER 81.14 22.3 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.454 ' O ' ' CB ' ' A' ' 42' ' ' SER . 14.0 mt -95.75 163.29 21.6 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.706 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.3 Cg_endo -75.02 160.07 40.55 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.579 ' HG2' HG22 ' A' ' 38' ' ' ILE . 12.6 mtpt -63.64 -53.08 57.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.556 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.1 p-80 -48.88 -47.25 43.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.606 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -54.88 -60.73 2.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.373 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.706 HD12 ' O ' ' A' ' 48' ' ' PRO . 3.9 mt -53.97 -48.44 63.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 96.3 mt -56.46 -60.66 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.85 -68.89 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.486 ' CE2' HD21 ' A' ' 22' ' ' LEU . 0.8 OUTLIER -37.33 -55.55 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.569 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 0.8 OUTLIER -49.98 -53.74 24.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.269 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.546 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.9 OUTLIER -36.25 -83.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.339 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.783 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -28.07 -63.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.551 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 2.4 tp -43.71 -62.59 1.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -55.03 -42.54 81.36 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.562 1.164 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.7 mt -53.96 -46.74 65.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 0.783 . . . . 0.0 109.353 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.779 ' HB3' HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -75.05 -35.39 61.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -51.03 71.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.239 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.1 t -51.02 -40.69 58.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.586 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -67.29 -30.41 70.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 110.965 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.501 HG12 ' CE1' ' A' ' 56' ' ' PHE . 37.9 mt -68.42 -45.12 82.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.34 -9.27 58.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.552 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.03 -56.51 2.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.35 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.571 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 2.0 m -82.09 -49.4 17.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.489 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 136.39 -148.61 19.78 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.473 ' C ' ' CD2' ' A' ' 32' ' ' TYR . 4.2 mt -121.86 69.72 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.473 ' CD2' ' C ' ' A' ' 31' ' ' LEU . 1.4 p90 179.13 63.39 0.11 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.561 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.2 Cg_endo -75.06 172.44 16.35 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.527 1.803 . . . . 0.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.02 164.61 13.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -47.42 -24.06 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.4 -50.35 11.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.27 -39.48 83.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.615 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.9 mt -65.42 -41.31 90.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -38.36 77.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.609 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.6 m -69.25 -36.37 77.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.436 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.741 HD22 ' HB2' ' A' ' 22' ' ' LEU . 96.2 mt -70.6 -39.21 73.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.692 ' HA ' HD11 ' A' ' 52' ' ' ILE . 2.0 t -71.58 -16.08 62.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.971 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.29 -68.6 0.79 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -40.17 -42.62 1.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.277 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.783 HD22 ' HA ' ' A' ' 18' ' ' ALA . 11.1 mt -92.96 -29.23 15.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER 81.25 23.01 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.46 ' O ' ' CB ' ' A' ' 42' ' ' SER . 15.5 mt -97.41 162.8 21.35 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.794 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.2 Cg_endo -75.0 159.8 40.94 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.615 ' HG2' HG22 ' A' ' 38' ' ' ILE . 13.1 mtpt -64.02 -52.57 58.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.548 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.0 p-80 -49.23 -43.4 42.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.596 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -59.96 -59.3 5.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.408 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.794 HD12 ' O ' ' A' ' 48' ' ' PRO . 3.3 mt -57.32 -48.68 82.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.402 HG12 ' CD1' ' A' ' 38' ' ' ILE . 82.4 mt -56.59 -60.52 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -42.51 -67.39 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.551 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 1.1 t80 -38.28 -58.27 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.561 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 1.1 m-85 -47.25 -53.49 13.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.536 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -36.11 -83.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.757 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -28.79 -60.92 0.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.433 ' HA ' HD23 ' A' ' 22' ' ' LEU . 2.8 tp -46.74 -61.85 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -51.54 -43.51 52.84 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 42.5 mt -54.75 -58.55 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.84 ' HB3' HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -62.09 -37.98 87.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.414 ' N ' ' HG ' ' A' ' 22' ' ' LEU . 0.8 OUTLIER -53.61 -42.77 68.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.8 t -60.12 -42.08 94.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.581 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -65.64 -30.68 71.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.578 HG23 ' O ' ' A' ' 30' ' ' GLY . 75.6 mt -68.28 -41.16 83.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -11.7 59.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.578 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -91.9 -54.1 4.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.495 HG21 ' CE1' ' A' ' 25' ' ' PHE . 3.8 m -80.75 -45.43 21.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.578 ' O ' HG23 ' A' ' 26' ' ' ILE . . . 130.63 -109.16 0.89 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.488 1.117 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.5 mt -146.84 43.72 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -146.6 74.62 12.47 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.951 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.564 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.97 133.56 16.78 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.467 1.772 . . . . 0.0 110.999 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.5 OUTLIER -89.41 151.31 22.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -40.61 -28.52 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -78.2 -48.52 15.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.499 ' HB1' ' CZ ' ' A' ' 25' ' ' PHE . . . -56.31 -43.15 78.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.535 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.9 mt -59.46 -46.0 93.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.29 -40.99 75.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.579 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.6 m -66.79 -35.91 81.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.393 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.602 HD22 ' HB2' ' A' ' 22' ' ' LEU . 91.2 mt -72.55 -37.3 68.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.677 ' HA ' HD11 ' A' ' 52' ' ' ILE . 2.0 t -73.57 -16.27 61.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.044 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.59 -67.45 0.85 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.112 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -41.83 -44.01 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.84 HD11 ' HB3' ' A' ' 22' ' ' LEU . 11.3 mt -91.42 -28.86 17.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 3.2 t0 81.23 21.17 0.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.462 ' HA ' HD23 ' A' ' 47' ' ' LEU . 15.2 mt -94.05 162.84 25.51 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.242 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.595 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.4 Cg_endo -75.01 159.5 41.26 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.497 1.788 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.535 ' HG2' HG22 ' A' ' 38' ' ' ILE . 8.6 mtpt -64.48 -50.84 65.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.56 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.0 p-80 -50.63 -45.79 57.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.605 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -56.81 -60.05 4.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.435 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.677 HD11 ' HA ' ' A' ' 42' ' ' SER . 4.4 mt -53.53 -46.17 59.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.699 HG22 ' NE2' ' A' ' 57' ' ' GLN . 95.1 mt -59.95 -65.07 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' ILE . 3.4 mptm? -40.17 -59.69 1.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.528 ' CE2' HD21 ' A' ' 22' ' ' LEU . 3.4 t80 -47.07 -55.15 8.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.566 ' CE1' HG12 ' A' ' 26' ' ' ILE . 0.8 OUTLIER -53.39 -51.77 61.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.699 ' NE2' HG22 ' A' ' 53' ' ' ILE . 62.6 mt-30 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.537 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -35.32 -83.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.261 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.602 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -28.99 -51.96 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.782 HD21 ' CE2' ' A' ' 55' ' ' PHE . 1.0 OUTLIER -52.42 -71.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -42.51 -47.66 5.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 18' ' ' ALA . 48.3 mt -46.2 -47.31 6.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.559 0.799 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.872 ' HB2' HD22 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -81.43 -39.87 24.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.423 ' N ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -54.72 -33.26 60.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.4 t -69.89 -52.45 24.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.998 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.667 ' CE2' HG11 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -55.82 -30.47 61.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 111.034 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.617 HD11 ' CD1' ' A' ' 22' ' ' LEU . 64.8 mt -66.32 -46.81 86.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -72.72 -10.57 59.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.605 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.75 -55.5 3.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.667 HG11 ' CE2' ' A' ' 25' ' ' PHE . 2.9 m -79.54 -49.38 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.548 ' O ' HG23 ' A' ' 26' ' ' ILE . . . 136.51 -129.77 4.98 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.547 1.154 . . . . 0.0 111.018 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.0 mt -136.78 48.52 2.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.756 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.415 ' N ' ' HD3' ' A' ' 33' ' ' PRO . 89.2 m-85 -153.03 63.09 4.57 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.567 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.1 Cg_endo -75.07 174.63 12.47 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.473 1.775 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.45 ' H ' ' HB3' ' A' ' 37' ' ' ALA . 22.1 m-20 -127.82 158.38 37.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -40.91 -28.49 0.08 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.352 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -74.89 -50.18 17.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.309 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.45 ' HB3' ' H ' ' A' ' 34' ' ' ASP . . . -59.59 -42.1 91.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.577 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.9 mt -63.41 -45.84 96.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -46.54 69.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.604 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.7 m -60.78 -35.4 76.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.872 HD22 ' HB2' ' A' ' 22' ' ' LEU . 65.3 mt -72.65 -35.92 67.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.71 ' HA ' HD11 ' A' ' 52' ' ' ILE . 3.2 t -75.47 -15.01 60.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.034 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -99.42 -67.18 0.86 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -41.32 -43.42 2.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.602 HD22 ' HA ' ' A' ' 18' ' ' ALA . 10.4 mt -92.24 -30.02 16.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 14.8 t0 82.06 22.17 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.427 ' O ' ' HA ' ' A' ' 42' ' ' SER . 15.6 mt -96.72 163.41 20.36 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.618 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.3 Cg_endo -75.01 161.15 39.19 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.567 1.825 . . . . 0.0 111.038 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.577 ' HG2' HG22 ' A' ' 38' ' ' ILE . 10.3 mtpt -65.44 -51.11 62.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.8 p-80 -50.14 -47.91 53.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.627 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.3 m -56.79 -55.49 33.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.412 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.71 HD11 ' HA ' ' A' ' 42' ' ' SER . 4.9 mt -59.22 -46.33 92.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.3 mt -58.86 -58.3 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.45 -63.97 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.782 ' CE2' HD21 ' A' ' 19' ' ' LEU . 5.3 t80 -41.84 -61.41 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.573 ' CE1' HG12 ' A' ' 26' ' ' ILE . 1.8 m-85 -43.08 -54.91 4.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.278 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.532 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.9 OUTLIER -36.73 -83.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.761 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -29.21 -59.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.504 ' CD1' ' CE2' ' A' ' 55' ' ' PHE . 3.1 tp -47.19 -63.11 1.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -50.53 -44.33 46.21 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.4 mt -53.21 -56.39 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.872 ' HB2' HD22 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -66.09 -37.27 85.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -43.27 71.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.3 t -59.13 -37.91 78.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -71.07 -28.3 64.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 111.013 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.493 HG23 ' O ' ' A' ' 30' ' ' GLY . 12.2 mt -67.63 -40.45 84.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.08 -10.92 59.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.629 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.79 -51.3 5.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.574 HG11 ' CE2' ' A' ' 25' ' ' PHE . 1.5 m -88.26 -49.31 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.493 ' O ' HG23 ' A' ' 26' ' ' ILE . . . 134.61 -116.29 1.58 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.454 1.096 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.2 mt -141.84 36.06 1.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 0.776 . . . . 0.0 109.259 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.401 ' N ' ' HD3' ' A' ' 33' ' ' PRO . 52.1 m-85 -133.12 63.96 68.45 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.555 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.98 129.01 11.95 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.495 1.787 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -85.13 154.41 22.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.251 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -42.05 -27.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -77.62 -47.5 19.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . -58.15 -40.07 80.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.591 HG22 ' HG2' ' A' ' 49' ' ' LYS . 3.4 mt -63.94 -45.33 97.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.1 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -44.09 71.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.626 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.0 m -63.36 -37.2 86.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.379 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.872 HD22 ' HB2' ' A' ' 22' ' ' LEU . 85.2 mt -70.29 -39.46 74.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.692 ' HA ' HD11 ' A' ' 52' ' ' ILE . 1.3 t -71.5 -17.64 62.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.981 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.74 -68.1 0.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -41.27 -43.86 2.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.41 1.069 . . . . 0.0 110.32 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.794 HD11 ' HB3' ' A' ' 22' ' ' LEU . 11.1 mt -90.61 -30.18 17.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 8.7 t0 82.09 23.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.471 ' O ' ' CB ' ' A' ' 42' ' ' SER . 15.0 mt -98.64 163.0 19.83 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.807 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.2 Cg_endo -75.07 159.2 41.37 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.789 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.591 ' HG2' HG22 ' A' ' 38' ' ' ILE . 5.1 mtpm? -62.98 -53.96 45.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.4 p-80 -48.1 -44.24 31.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.596 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -58.63 -60.15 4.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.422 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.807 HD12 ' O ' ' A' ' 48' ' ' PRO . 3.2 mt -56.52 -39.6 63.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 56' ' ' PHE . 96.7 mt -64.16 -57.4 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -44.81 -43.92 9.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.567 ' CE2' HD11 ' A' ' 22' ' ' LEU . 1.9 t80 -62.58 -33.88 75.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.555 ' CE1' ' HG3' ' A' ' 33' ' ' PRO . 4.4 m-85 -84.23 -58.39 2.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.305 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.535 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.3 mt-10 -36.08 -83.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.69 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -28.71 -60.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.559 ' CD1' ' CE2' ' A' ' 55' ' ' PHE . 2.4 tp -47.95 -61.65 1.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -53.46 -38.79 58.54 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 36.6 mt -59.24 -51.5 71.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.839 ' HB2' HD22 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -70.07 -36.15 74.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.44 -40.99 79.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.349 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.9 t -60.72 -40.67 93.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.016 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.653 ' CE2' HG11 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -68.05 -28.37 67.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.567 HG12 ' CE1' ' A' ' 56' ' ' PHE . 78.6 mt -69.57 -42.49 80.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.15 -12.51 60.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.584 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -92.42 -54.4 3.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.653 HG11 ' CE2' ' A' ' 25' ' ' PHE . 2.4 m -78.94 -47.78 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.565 ' O ' HG23 ' A' ' 26' ' ' ILE . . . 132.78 -112.33 1.12 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.441 1.088 . . . . 0.0 111.011 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 49.3 mt -146.48 42.14 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.779 . . . . 0.0 109.272 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -144.83 71.67 15.13 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.57 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -74.93 138.7 23.56 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.788 . . . . 0.0 111.045 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -96.93 155.12 16.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -43.02 -27.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -78.8 -45.67 20.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.467 ' HB1' ' CZ ' ' A' ' 25' ' ' PHE . . . -61.01 -42.45 98.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.541 HG22 ' HG2' ' A' ' 49' ' ' LYS . 3.0 mt -62.18 -44.51 99.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.86 -41.68 74.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.596 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.3 m -66.73 -36.11 81.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.39 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.839 HD22 ' HB2' ' A' ' 22' ' ' LEU . 75.4 mt -71.58 -36.81 71.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.709 ' HA ' HD11 ' A' ' 52' ' ' ILE . 2.6 t -74.61 -15.13 60.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.974 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.99 -67.45 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -40.9 -46.35 2.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.318 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.695 HD11 ' HB3' ' A' ' 22' ' ' LEU . 11.7 mt -89.13 -29.34 19.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 5.3 t0 81.61 22.56 0.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' A' ' 42' ' ' SER . 14.8 mt -96.26 163.59 20.41 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.784 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.2 Cg_endo -74.98 161.12 39.35 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.428 1.752 . . . . 0.0 111.012 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.541 ' HG2' HG22 ' A' ' 38' ' ' ILE . 12.8 mtpt -65.51 -50.62 64.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.561 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.8 p-80 -50.72 -47.02 59.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.609 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -56.35 -60.0 4.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.411 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.784 HD12 ' O ' ' A' ' 48' ' ' PRO . 3.9 mt -54.42 -47.2 70.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.33 -59.21 3.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.18 -64.76 0.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.559 ' CE2' ' CD1' ' A' ' 19' ' ' LEU . 1.7 t80 -40.53 -56.58 2.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.57 ' CE1' ' HG3' ' A' ' 33' ' ' PRO . 2.4 m-85 -52.74 -56.23 17.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.535 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.0 mt-10 -36.61 -82.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.635 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -29.82 -56.4 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.513 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 2.9 tp -53.06 -63.66 1.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -47.37 -43.04 19.35 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.537 1.148 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 44.4 mt -54.01 -65.36 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 109.349 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.746 ' HB3' HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -53.82 -35.07 61.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.499 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -58.69 -39.83 81.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.306 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.6 t -62.63 -43.27 99.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.598 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -65.1 -27.65 68.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.64 HD11 ' CD1' ' A' ' 22' ' ' LEU . 96.5 mt -69.09 -42.96 82.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.07 -12.64 60.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.609 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.75 -51.96 5.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.57 HG11 ' CE2' ' A' ' 25' ' ' PHE . 3.2 m -82.35 -49.79 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.531 ' O ' HG23 ' A' ' 26' ' ' ILE . . . 133.3 -108.81 0.77 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.549 1.156 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.5 mt -147.44 47.49 1.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -150.25 71.99 9.26 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.05 127.15 10.42 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -85.03 153.64 22.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -41.95 -27.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -78.05 -47.39 18.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.271 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.515 ' HB1' ' CZ ' ' A' ' 25' ' ' PHE . . . -58.24 -42.54 86.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.588 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.8 mt -61.25 -42.4 93.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -41.82 85.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.628 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.5 m -66.28 -37.38 85.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.383 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.469 HD22 ' HB2' ' A' ' 22' ' ' LEU . 86.9 mt -70.83 -38.75 73.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.697 ' HA ' HD11 ' A' ' 52' ' ' ILE . 2.1 t -72.3 -15.66 61.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.972 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.98 -68.42 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -40.61 -42.31 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.746 HD11 ' HB3' ' A' ' 22' ' ' LEU . 10.8 mt -93.35 -28.68 16.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 2.4 t0 80.9 22.08 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 47' ' ' LEU . 14.3 mt -95.64 163.14 22.1 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.751 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.3 Cg_endo -75.01 159.22 41.59 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.483 1.781 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.588 ' HG2' HG22 ' A' ' 38' ' ' ILE . 15.7 mtpt -62.86 -52.91 61.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.557 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.2 p-80 -49.26 -45.09 44.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.574 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.41 -60.85 2.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.751 HD12 ' O ' ' A' ' 48' ' ' PRO . 3.4 mt -54.75 -47.85 73.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.426 HG12 ' CD1' ' A' ' 38' ' ' ILE . 95.9 mt -56.99 -61.26 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.49 -71.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.513 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 3.0 t80 -37.5 -54.4 1.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.57 ' CE1' HG12 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -51.2 -52.74 41.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.13 . . . . 0.0 111.009 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.285 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.548 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.4 mt-10 -36.17 -83.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.736 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -28.22 -58.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.441 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 2.3 tp -50.41 -62.64 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -50.23 -44.68 43.8 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.8 mt -51.69 -58.27 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.703 ' CD1' HD11 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -64.66 -38.25 90.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.39 -48.75 71.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.3 t -55.09 -43.14 73.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.113 . . . . 0.0 110.026 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.623 ' CE2' HG11 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -64.81 -30.79 71.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 111.023 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.703 HD11 ' CD1' ' A' ' 22' ' ' LEU . 92.8 mt -66.95 -43.58 89.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.64 -10.52 59.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.594 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -93.11 -53.46 4.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.623 HG11 ' CE2' ' A' ' 25' ' ' PHE . 2.4 m -82.89 -49.72 16.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.589 ' O ' HG23 ' A' ' 26' ' ' ILE . . . 138.77 -130.47 4.91 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.437 1.086 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 mt -138.56 58.84 1.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 0.756 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -171.17 64.34 0.4 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.956 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.565 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.05 172.25 16.73 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.514 1.797 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.49 165.36 13.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.592 1.183 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -47.65 -24.12 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.59 -51.0 11.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.259 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.26 -40.1 84.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.545 HG22 ' HG2' ' A' ' 49' ' ' LYS . 3.2 mt -64.09 -46.16 94.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -40.24 66.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.585 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.4 m -66.94 -36.68 82.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.385 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.623 HD22 ' HB2' ' A' ' 22' ' ' LEU . 88.2 mt -71.39 -38.87 71.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.698 ' HA ' HD11 ' A' ' 52' ' ' ILE . 1.4 t -72.07 -17.19 62.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.08 -68.09 0.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -40.14 -43.8 1.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.302 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.736 HD22 ' HA ' ' A' ' 18' ' ' ALA . 12.4 mt -91.78 -29.36 16.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 5.3 t0 81.9 23.6 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.247 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.495 ' O ' ' CB ' ' A' ' 42' ' ' SER . 18.2 mt -98.17 162.43 22.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.806 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.2 Cg_endo -75.04 161.9 37.9 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.536 1.809 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.545 ' HG2' HG22 ' A' ' 38' ' ' ILE . 11.7 mtpt -65.84 -52.11 53.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.9 p-80 -49.21 -40.79 34.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.596 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.56 -59.01 5.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.387 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.806 HD12 ' O ' ' A' ' 48' ' ' PRO . 3.2 mt -58.19 -43.87 86.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 80.1 mt -62.58 -61.5 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -41.74 -55.16 3.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.515 ' CE2' HD21 ' A' ' 22' ' ' LEU . 1.1 t80 -51.1 -49.69 60.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.565 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 1.2 m-85 -58.56 -44.3 89.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 111.041 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.542 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.0 OUTLIER -36.38 -83.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.748 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -28.34 -60.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.617 ' CD1' ' CE2' ' A' ' 55' ' ' PHE . 2.4 tp -47.33 -62.24 1.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -51.07 -46.65 50.46 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.15 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 29.5 mt -49.37 -57.8 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.411 0.713 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.811 ' HB2' HD22 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -64.89 -35.39 80.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.409 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -56.91 -41.08 77.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.327 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.1 t -61.45 -39.89 92.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.0 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.79 ' CE2' HG11 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -68.9 -29.96 68.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.701 HD11 ' CD1' ' A' ' 22' ' ' LEU . 96.3 mt -66.17 -41.47 89.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.89 -13.5 59.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.565 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -90.46 -53.41 4.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.79 HG11 ' CE2' ' A' ' 25' ' ' PHE . 1.5 m -82.86 -45.6 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.571 ' O ' HG23 ' A' ' 26' ' ' ILE . . . 129.25 -117.37 2.4 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.465 1.103 . . . . 0.0 110.985 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.8 mt -141.4 41.81 1.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 0.738 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -143.01 71.4 18.59 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.563 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -75.0 156.19 42.98 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.463 1.77 . . . . 0.0 110.983 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.512 ' H ' ' HB3' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -116.23 157.24 25.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -44.03 -26.43 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -80.07 -44.32 20.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.512 ' HB3' ' H ' ' A' ' 34' ' ' ASP . . . -64.57 -43.76 92.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.597 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.5 mt -61.31 -40.4 85.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -45.86 90.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.622 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.4 m -62.67 -36.11 81.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.403 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.811 HD22 ' HB2' ' A' ' 22' ' ' LEU . 92.5 mt -71.9 -37.52 70.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.719 ' HA ' HD11 ' A' ' 52' ' ' ILE . 1.5 t -73.64 -16.77 61.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.989 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.9 -67.27 0.85 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -40.64 -45.87 2.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.748 HD22 ' HA ' ' A' ' 18' ' ' ALA . 11.8 mt -89.79 -29.97 18.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 5.4 t0 82.04 23.64 0.23 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.425 ' O ' ' HA ' ' A' ' 42' ' ' SER . 15.7 mt -97.89 162.78 21.09 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.801 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.3 Cg_endo -75.01 159.35 41.44 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.769 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.597 ' HG2' HG22 ' A' ' 38' ' ' ILE . 2.0 mtpm? -63.35 -53.26 55.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.557 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.2 p-80 -48.58 -46.21 38.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 109.575 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -58.34 -59.23 5.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.383 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.801 HD12 ' O ' ' A' ' 48' ' ' PRO . 3.7 mt -56.09 -46.14 80.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 96.4 mt -58.21 -58.55 5.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -40.67 -66.4 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.617 ' CE2' ' CD1' ' A' ' 19' ' ' LEU . 1.8 t80 -39.37 -59.43 1.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.573 ' CE1' HG12 ' A' ' 26' ' ' ILE . 1.7 m-85 -47.11 -53.88 11.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.974 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.573 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -36.46 -84.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.677 ' HB1' HD13 ' A' ' 45' ' ' LEU . . . -26.29 -54.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.547 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -44.87 -67.28 0.3 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 0.0 109.258 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -47.73 -47.41 24.38 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.487 1.117 . . . . 0.0 110.95 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.9 mt -50.16 -58.63 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.775 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.796 ' HB3' HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -66.23 -24.44 66.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.63 -48.51 54.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.7 t -58.14 -41.68 84.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.977 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.537 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -61.1 -38.62 86.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 111.016 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.74 HD12 HD12 ' A' ' 22' ' ' LEU . 1.8 mt -62.33 -44.63 99.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -72.8 -10.15 59.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.589 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.81 -57.52 2.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.537 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 3.9 m -82.13 -50.7 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.476 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 140.92 -142.15 11.96 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.475 1.109 . . . . 0.0 111.041 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.546 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 45.8 mt -129.06 58.98 1.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.771 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.546 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 89.6 m-85 -162.71 63.65 1.41 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.143 . . . . 0.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.03 169.94 21.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.514 1.797 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.415 ' C ' ' N ' ' A' ' 36' ' ' GLU . 0.8 OUTLIER -123.92 166.46 15.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -44.49 -26.02 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -77.4 -51.57 10.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.285 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.404 ' N ' ' HG2' ' A' ' 36' ' ' GLU . . . -58.18 -43.85 87.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.559 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.6 mt -61.58 -40.27 86.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -35.55 76.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.604 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.3 m -72.86 -33.22 65.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.351 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.627 HD22 ' HB2' ' A' ' 22' ' ' LEU . 97.6 mt -74.56 -36.52 63.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.719 ' HA ' HD11 ' A' ' 52' ' ' ILE . 1.1 t -72.87 -18.2 61.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.001 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.08 -67.81 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -40.74 -42.2 1.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.796 HD11 ' HB3' ' A' ' 22' ' ' LEU . 12.3 mt -92.98 -30.21 15.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 7.0 t70 82.64 23.75 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.485 ' O ' ' CB ' ' A' ' 42' ' ' SER . 16.7 mt -99.43 162.63 20.66 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.663 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.3 Cg_endo -74.95 162.07 37.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.486 1.782 . . . . 0.0 111.057 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.559 ' HG2' HG22 ' A' ' 38' ' ' ILE . 13.3 mtpt -65.94 -51.89 54.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.7 p-80 -49.13 -51.5 31.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.58 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.8 m -53.9 -54.2 42.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.395 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.719 HD11 ' HA ' ' A' ' 42' ' ' SER . 5.8 mt -59.83 -51.45 72.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.351 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 95.0 mt -54.54 -60.15 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.53 -60.99 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.629 ' CE2' HD11 ' A' ' 22' ' ' LEU . 2.2 t80 -43.41 -53.44 5.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.677 ' CZ ' HD11 ' A' ' 26' ' ' ILE . 2.4 m-85 -55.19 -49.77 71.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.542 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.2 mt-10 -36.16 -82.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.726 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -29.27 -57.36 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.475 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 2.4 tp -52.29 -68.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -45.34 -45.49 11.04 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 77.2 mt -49.28 -64.15 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.811 HD12 HD12 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -61.73 -36.18 80.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.54 -49.17 77.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.326 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.9 t -55.66 -42.41 75.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.021 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.571 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -61.75 -33.0 73.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.811 HD12 HD12 ' A' ' 22' ' ' LEU . 1.8 mt -65.14 -44.15 95.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.85 -11.23 60.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.592 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.25 -58.22 2.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.571 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 2.2 m -84.11 -49.85 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.483 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 139.35 -146.34 17.9 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.46 1.1 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.417 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 17.1 mt -124.66 56.27 1.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.777 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.419 ' N ' ' HD3' ' A' ' 33' ' ' PRO . 87.9 m-85 -158.22 62.88 2.48 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.978 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.575 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.99 177.85 8.04 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.545 1.813 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.531 ' H ' ' HB3' ' A' ' 37' ' ' ALA . 16.4 m-20 -131.1 162.89 28.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -41.38 -28.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -76.93 -52.23 9.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 110.296 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.531 ' HB3' ' H ' ' A' ' 34' ' ' ASP . . . -57.93 -41.0 81.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.584 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.7 mt -64.02 -45.74 95.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.01 -40.04 66.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.596 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.6 m -66.91 -36.91 83.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.408 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.668 HD22 ' HB2' ' A' ' 22' ' ' LEU . 81.9 mt -71.02 -36.41 72.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.66 ' HA ' HD11 ' A' ' 52' ' ' ILE . 1.7 t -75.09 -16.29 60.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.963 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.75 -66.78 0.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -42.2 -43.64 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.726 HD22 ' HA ' ' A' ' 18' ' ' ALA . 10.4 mt -91.86 -27.64 17.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.478 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 1.6 t70 79.96 22.62 0.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 42' ' ' SER . 16.0 mt -96.9 163.31 20.41 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.562 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.3 Cg_endo -75.0 159.22 41.63 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.511 1.795 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.584 ' HG2' HG22 ' A' ' 38' ' ' ILE . 10.3 mtpt -62.43 -54.03 46.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.3 p-80 -48.18 -48.47 34.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.605 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -53.01 -54.97 27.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.424 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.66 HD11 ' HA ' ' A' ' 42' ' ' SER . 4.2 mt -61.79 -53.69 44.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 85.3 mt -50.67 -63.6 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.97 -65.42 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.515 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.7 OUTLIER -39.27 -63.41 0.55 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.575 ' CE1' ' HG3' ' A' ' 33' ' ' PRO . 2.2 m-85 -40.83 -57.54 1.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.061 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 110.293 179.955 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.433 ' O ' ' CB ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.56 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -36.5 -84.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.612 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -25.31 -53.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.433 ' CB ' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -39.85 -71.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.5 -44.91 37.29 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.513 HG22 HD21 ' A' ' 45' ' ' LEU . 27.6 mt -51.76 -38.01 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 0.781 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.887 ' HB3' HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -86.19 -35.79 19.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -48.45 81.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.5 t -49.28 -44.64 44.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.993 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.763 ' O ' HG22 ' A' ' 29' ' ' VAL . 1.5 t80 -64.2 -46.64 83.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.777 HD11 ' CD1' ' A' ' 22' ' ' LEU . 98.7 mt -53.51 -29.32 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -84.35 -21.87 30.76 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.621 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -83.23 -13.17 55.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.763 HG22 ' O ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -128.23 -89.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.706 ' O ' HG23 ' A' ' 26' ' ' ILE . . . 175.56 -112.75 0.41 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.5 mt -143.52 28.87 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.786 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.429 ' N ' ' HD3' ' A' ' 33' ' ' PRO . 90.7 m-85 -140.27 62.4 20.0 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -75.0 174.94 11.92 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -114.56 158.04 22.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -42.09 -29.81 0.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.41 ' HG2' ' N ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -71.2 -50.55 31.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.681 ' HB1' ' CZ ' ' A' ' 25' ' ' PHE . . . -60.36 -38.48 84.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.4 mt -67.06 -43.26 88.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.322 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.53 -41.11 76.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.568 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.1 m -66.01 -34.87 79.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 110.406 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.744 HD22 ' HB2' ' A' ' 22' ' ' LEU . 94.6 mt -73.98 -37.4 64.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.711 ' HA ' HD11 ' A' ' 52' ' ' ILE . 1.6 t -73.11 -16.72 61.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.998 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.3 -67.84 0.83 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -40.17 -44.02 1.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.887 HD11 ' HB3' ' A' ' 22' ' ' LEU . 11.0 mt -91.83 -29.26 16.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER 81.01 23.54 0.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.422 ' O ' ' HA ' ' A' ' 42' ' ' SER . 16.4 mt -97.77 162.33 22.73 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.744 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.4 Cg_endo -74.96 161.72 38.4 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -65.34 -53.34 45.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.257 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.548 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.9 p-80 -48.1 -43.68 31.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.63 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -60.89 -58.64 7.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.388 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.744 HD12 ' O ' ' A' ' 48' ' ' PRO . 3.8 mt -57.16 -44.29 83.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.61 -59.38 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -44.24 -65.04 0.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.68 ' HE2' HD21 ' A' ' 22' ' ' LEU . 1.9 t80 -42.69 -54.2 4.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.577 ' CZ ' HG12 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -47.81 -49.47 28.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.539 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.7 mt-10 -36.16 -83.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.841 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -29.01 -59.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.417 ' CD1' ' CZ ' ' A' ' 55' ' ' PHE . 2.9 tp -48.1 -63.6 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -50.35 -46.77 44.39 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.134 . . . . 0.0 111.035 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.436 HD12 ' HA ' ' A' ' 18' ' ' ALA . 19.4 mt -48.3 -55.83 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.754 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.719 HD12 ' CD1' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -69.85 -31.82 69.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -62.72 -40.87 98.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.2 t -64.06 -40.34 96.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.998 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.597 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -65.39 -30.59 71.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.987 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.719 ' CD1' HD12 ' A' ' 22' ' ' LEU . 2.7 mt -64.36 -40.4 88.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -80.05 -13.3 59.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 109.573 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -88.55 -50.24 6.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.597 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 1.5 m -94.59 -48.92 12.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.503 ' CA ' ' O ' ' A' ' 26' ' ' ILE . . . 139.09 -141.66 12.09 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.53 1.143 . . . . 0.0 111.063 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.3 mt -128.16 46.67 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.753 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.404 ' N ' ' HD3' ' A' ' 33' ' ' PRO . 87.9 m-85 -147.34 63.79 8.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.57 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.2 Cg_endo -74.98 174.22 13.15 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.491 1.785 . . . . 0.0 110.992 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.488 ' H ' ' HB3' ' A' ' 37' ' ' ALA . 0.8 OUTLIER -127.34 164.23 22.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -43.36 -26.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -77.8 -51.64 10.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.488 ' HB3' ' H ' ' A' ' 34' ' ' ASP . . . -57.87 -41.87 83.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.589 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.5 mt -63.55 -40.93 90.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -38.05 78.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.637 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.7 m -69.9 -35.46 74.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.425 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.68 HD22 ' HB2' ' A' ' 22' ' ' LEU . 85.8 mt -71.78 -37.98 70.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.694 ' HA ' HD11 ' A' ' 52' ' ' ILE . 1.7 t -72.9 -16.41 61.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.98 -67.87 0.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -41.06 -42.12 1.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.841 HD22 ' HA ' ' A' ' 18' ' ' ALA . 11.7 mt -93.17 -29.74 15.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 2.0 t70 82.02 23.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 42' ' ' SER . 15.8 mt -98.15 163.22 19.73 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.6 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.2 Cg_endo -75.04 158.96 41.75 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.589 ' HG2' HG22 ' A' ' 38' ' ' ILE . 0.6 OUTLIER -61.93 -54.41 42.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.563 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.4 p-80 -47.94 -49.25 30.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.616 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -52.61 -56.57 14.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.439 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.694 HD11 ' HA ' ' A' ' 42' ' ' SER . 3.7 mt -60.81 -47.57 92.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 54' ' ' LYS . 41.4 mt -55.52 -66.46 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -40.3 -65.28 0.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.417 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 1.8 t80 -37.58 -61.64 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.57 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 1.2 m-85 -44.49 -53.55 6.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.534 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.6 mt-10 -36.16 -83.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 110.37 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.787 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -28.39 -60.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 tp -47.94 -62.7 1.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -50.11 -49.11 37.79 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.459 HD12 ' HA ' ' A' ' 18' ' ' ALA . 18.2 mt -45.89 -60.31 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.545 0.791 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.697 ' HB2' HD22 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -63.92 -38.21 90.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.413 ' N ' ' HG ' ' A' ' 22' ' ' LEU . 4.4 tm0? -51.58 -36.02 43.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.1 t -65.76 -38.18 88.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.05 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.677 ' CE2' HG11 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -69.84 -30.68 68.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.496 HG23 ' O ' ' A' ' 30' ' ' GLY . 59.6 mt -66.79 -39.8 84.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -78.45 -13.47 59.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.627 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -90.96 -52.21 4.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.677 HG11 ' CE2' ' A' ' 25' ' ' PHE . 2.5 m -82.75 -47.77 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.496 ' O ' HG23 ' A' ' 26' ' ' ILE . . . 138.86 -87.71 0.21 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.518 1.136 . . . . 0.0 110.955 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.456 HD23 HG23 ' A' ' 26' ' ' ILE . 52.1 mt -151.55 -86.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 0.733 . . . . 0.0 109.36 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.445 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 7.5 p90 -37.52 97.84 0.14 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.972 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.557 ' HG3' ' CE2' ' A' ' 56' ' ' PHE . 18.1 Cg_endo -75.02 -164.77 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.448 1.762 . . . . 0.0 110.971 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.572 ' H ' ' HB3' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -144.26 148.49 34.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.339 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -43.03 -27.01 0.17 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -82.2 -43.33 17.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.261 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.572 ' HB3' ' H ' ' A' ' 34' ' ' ASP . . . -65.53 -42.22 92.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.578 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.6 mt -61.42 -41.01 88.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.256 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -43.07 94.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.645 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.0 m -65.16 -38.75 91.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.427 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.697 HD22 ' HB2' ' A' ' 22' ' ' LEU . 76.0 mt -69.47 -39.27 77.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.677 ' HA ' HD11 ' A' ' 52' ' ' ILE . 1.4 t -71.61 -16.95 62.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.96 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.61 -68.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -40.72 -44.45 2.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.787 HD22 ' HA ' ' A' ' 18' ' ' ALA . 11.4 mt -90.86 -29.31 17.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 0.9 OUTLIER 81.66 22.35 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.461 ' O ' ' CB ' ' A' ' 42' ' ' SER . 16.3 mt -95.6 162.98 22.55 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.664 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.3 Cg_endo -75.03 160.65 39.82 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.437 1.757 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.578 ' HG2' HG22 ' A' ' 38' ' ' ILE . 11.1 mtpt -64.82 -52.07 58.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.547 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.9 p-80 -49.6 -44.24 46.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.599 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -57.73 -58.74 7.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.407 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.677 HD11 ' HA ' ' A' ' 42' ' ' SER . 3.6 mt -57.5 -42.48 81.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 70.2 mt -59.95 -63.83 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.75 -59.09 1.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.519 ' CE2' HD21 ' A' ' 22' ' ' LEU . 1.7 t80 -47.04 -57.54 4.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.557 ' CE2' ' HG3' ' A' ' 33' ' ' PRO . 1.4 m-85 -48.19 -47.46 35.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.536 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.2 mt-10 -35.58 -82.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.678 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -29.3 -50.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.808 HD21 ' CZ ' ' A' ' 55' ' ' PHE . 1.0 OUTLIER -57.06 -73.42 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -42.89 -35.77 2.34 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.558 1.161 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 44.1 mt -59.26 -53.48 47.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 0.743 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.787 HD12 HD12 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -73.93 -36.8 64.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.406 ' N ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -57.24 -41.74 80.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.3 t -63.65 -50.25 70.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.995 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.618 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -52.95 -36.62 60.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 111.037 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.787 HD12 HD12 ' A' ' 22' ' ' LEU . 1.9 mt -61.24 -47.89 91.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -71.84 -9.64 58.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.608 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.41 -59.26 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.618 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -82.32 -49.96 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.17 . . . . 0.0 109.339 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.513 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . 143.38 -148.58 20.38 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.504 1.127 . . . . 0.0 111.04 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.508 HD21 HG21 ' A' ' 26' ' ' ILE . 5.3 mt -127.54 57.68 1.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 0.744 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.513 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 0.5 OUTLIER -163.76 63.4 1.18 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.571 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -74.99 174.21 13.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.503 1.791 . . . . 0.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -122.39 168.28 12.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -47.41 -23.89 0.69 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.405 ' HG2' ' N ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -79.76 -51.99 8.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.307 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.405 ' N ' ' HG2' ' A' ' 36' ' ' GLU . . . -58.13 -40.21 80.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.584 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.8 mt -63.96 -44.41 97.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -39.91 71.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.605 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.2 m -67.41 -34.68 77.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.403 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.663 HD22 ' HB2' ' A' ' 22' ' ' LEU . 94.6 mt -73.3 -35.8 66.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.71 ' HA ' HD11 ' A' ' 52' ' ' ILE . 2.0 t -75.08 -15.91 60.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.033 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.63 -67.05 0.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -41.45 -43.0 2.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.678 HD22 ' HA ' ' A' ' 18' ' ' ALA . 9.9 mt -92.6 -29.93 15.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER 82.17 21.52 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 47' ' ' LEU . 14.8 mt -96.5 163.18 21.1 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.573 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.2 Cg_endo -75.05 162.54 36.83 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.584 ' HG2' HG22 ' A' ' 38' ' ' ILE . 1.4 mtpm? -65.8 -52.13 53.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.573 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.7 p-80 -48.82 -52.68 22.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.556 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.3 m -52.91 -49.99 64.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.426 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.71 HD11 ' HA ' ' A' ' 42' ' ' SER . 8.2 mt -63.26 -53.18 49.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 95.5 mt -53.47 -59.19 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.13 -64.99 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.808 ' CZ ' HD21 ' A' ' 19' ' ' LEU . 7.0 t80 -44.33 -52.01 7.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.571 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 2.0 m-85 -55.6 -53.63 54.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 110.333 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.52 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.5 mt-10 -36.27 -83.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.733 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -28.91 -58.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.414 HD13 ' CE2' ' A' ' 55' ' ' PHE . 2.4 tp -51.7 -67.56 0.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -47.24 -43.22 18.68 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.447 1.092 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.7 mt -52.47 -61.83 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.526 0.78 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.831 ' HB2' HD22 ' A' ' 41' ' ' LEU . 0.4 OUTLIER -63.11 -36.47 83.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.06 -41.36 68.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.2 t -61.45 -39.53 91.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.672 ' CE2' HG11 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -68.94 -27.55 65.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.574 HG12 ' CE1' ' A' ' 56' ' ' PHE . 67.1 mt -69.46 -42.0 80.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.41 -12.69 60.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.612 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.9 -53.61 4.2 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.672 HG11 ' CE2' ' A' ' 25' ' ' PHE . 2.3 m -81.22 -45.4 20.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.548 ' O ' HG23 ' A' ' 26' ' ' ILE . . . 127.59 -114.19 1.85 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.9 mt -144.03 49.16 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 0.725 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -149.85 67.96 8.76 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.574 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.05 138.0 22.34 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.469 1.773 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -96.67 155.99 16.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -43.15 -26.81 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.345 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -78.36 -44.65 24.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . -62.89 -42.98 99.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.572 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.7 mt -62.69 -42.98 98.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -35.99 72.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.609 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.4 m -72.57 -34.01 67.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.441 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.831 HD22 ' HB2' ' A' ' 22' ' ' LEU . 92.5 mt -75.04 -34.56 61.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.702 ' HA ' HD11 ' A' ' 52' ' ' ILE . 2.6 t -75.72 -14.9 60.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.046 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -100.47 -67.28 0.86 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -40.56 -41.62 1.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.733 HD22 ' HA ' ' A' ' 18' ' ' ALA . 11.7 mt -95.1 -29.64 14.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 4.3 t0 82.3 21.31 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 47' ' ' LEU . 15.8 mt -94.49 162.64 25.29 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.558 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.4 Cg_endo -75.05 159.43 41.2 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.572 ' HG2' HG22 ' A' ' 38' ' ' ILE . 15.4 mtpt -63.95 -52.52 59.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.0 p-80 -48.97 -48.68 43.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.649 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -55.01 -52.89 61.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.403 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.702 HD11 ' HA ' ' A' ' 42' ' ' SER . 9.0 mt -62.98 -47.11 94.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 91.7 mt -57.38 -63.07 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -41.6 -69.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.47 ' CE2' HD21 ' A' ' 22' ' ' LEU . 0.9 OUTLIER -37.42 -56.45 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.574 ' CE1' HG12 ' A' ' 26' ' ' ILE . 0.6 OUTLIER -49.36 -56.63 8.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 17' ' ' GLU . 8.9 tp . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.556 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -36.09 -83.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 110.277 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.68 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -27.78 -47.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.768 ' O ' HD13 ' A' ' 22' ' ' LEU . 0.8 OUTLIER -61.96 -75.61 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -41.46 -26.72 0.24 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.454 HG21 HD21 ' A' ' 45' ' ' LEU . 19.9 mt -67.62 -64.2 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.767 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.843 HD22 ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -70.65 -18.83 62.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.622 ' N ' HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -74.05 -35.88 64.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.268 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.4 t -68.52 -34.52 76.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.023 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.826 ' CE2' HG11 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -73.21 -27.5 61.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.569 HG12 ' CE1' ' A' ' 56' ' ' PHE . 44.3 mt -68.72 -45.1 81.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -73.24 -13.46 61.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.637 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.23 -55.87 3.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.826 HG11 ' CE2' ' A' ' 25' ' ' PHE . 2.1 m -76.63 -47.55 28.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.461 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 133.85 -140.98 12.26 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.469 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 12.6 mt -129.28 56.75 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 0.782 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.469 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 77.8 m-85 -162.38 63.15 1.41 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.567 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.98 173.28 14.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.466 1.772 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' A' ' 36' ' ' GLU . 7.0 m-20 -124.56 163.24 22.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.085 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -46.65 -24.42 0.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -77.86 -50.37 12.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.42 -46.19 89.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.533 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.6 mt -57.97 -47.86 85.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -51.72 -44.03 63.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.608 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.0 m -63.06 -36.0 82.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.431 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.726 HD22 ' HB2' ' A' ' 22' ' ' LEU . 52.9 mt -72.67 -34.11 67.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.698 ' HA ' HD11 ' A' ' 52' ' ' ILE . 1.9 t -78.36 -14.5 59.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.013 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -99.28 -66.17 0.92 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -41.05 -41.46 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.68 HD22 ' HA ' ' A' ' 18' ' ' ALA . 10.2 mt -96.04 -26.17 15.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.464 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 6.2 t0 79.4 20.21 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.469 ' O ' ' CB ' ' A' ' 42' ' ' SER . 16.6 mt -93.43 162.91 26.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.707 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.6 Cg_endo -74.94 163.92 34.47 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.458 1.768 . . . . 0.0 111.041 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.533 ' HG2' HG22 ' A' ' 38' ' ' ILE . 3.0 mtpm? -68.19 -50.95 50.96 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.445 1.09 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.563 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.6 p-80 -49.49 -42.19 42.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.581 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.3 m -61.03 -58.6 7.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.372 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.707 HD12 ' O ' ' A' ' 48' ' ' PRO . 3.8 mt -57.38 -49.55 79.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.411 HG12 HD13 ' A' ' 38' ' ' ILE . 85.1 mt -58.02 -58.19 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.11 -55.77 3.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.687 ' CZ ' HD21 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -53.95 -46.73 71.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.569 ' CE1' HG12 ' A' ' 26' ' ' ILE . 1.2 m-85 -57.67 -46.03 84.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.994 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 20' ' ' GLY . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.554 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.1 mt-10 -36.69 -82.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.641 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -28.45 -49.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.765 ' O ' HD13 ' A' ' 22' ' ' LEU . 1.7 tp -64.05 -74.7 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 16' ' ' LEU . . . -40.45 -27.74 0.17 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.54 1.15 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.42 ' N ' ' C ' ' A' ' 19' ' ' LEU . 48.5 mt -66.62 -65.94 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.834 HD22 ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -68.97 -18.57 64.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.173 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.624 ' N ' HD13 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -73.76 -35.01 64.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.105 . . . . 0.0 110.292 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.2 t -69.73 -32.22 70.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 110.067 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.693 ' CE2' HG11 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -75.75 -27.36 58.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.595 HD11 ' CZ ' ' A' ' 56' ' ' PHE . 16.9 mt -67.94 -40.49 83.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -78.56 -15.01 59.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.167 . . . . 0.0 109.591 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -89.02 -48.36 7.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.693 HG11 ' CE2' ' A' ' 25' ' ' PHE . 2.4 m -86.18 -49.61 15.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.488 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 135.53 -139.19 10.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.409 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 16.5 mt -129.46 55.09 1.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.423 ' N ' ' HD3' ' A' ' 33' ' ' PRO . 84.9 m-85 -160.04 62.57 1.87 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.558 1.161 . . . . 0.0 110.972 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.565 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.2 Cg_endo -75.01 176.11 10.35 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.507 1.793 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.78 164.53 21.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -47.52 -23.84 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.9 -52.34 9.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.97 -44.52 87.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.56 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.8 mt -60.17 -44.33 95.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.22 -41.3 71.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.616 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.3 m -66.18 -35.45 80.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.381 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.627 HD22 ' HB2' ' A' ' 22' ' ' LEU . 31.4 mt -72.89 -34.32 66.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.667 ' HA ' HD11 ' A' ' 52' ' ' ILE . 1.3 t -77.63 -17.22 57.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.63 -65.91 0.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -42.12 -40.85 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.641 HD22 ' HA ' ' A' ' 18' ' ' ALA . 8.0 mt -95.42 -26.86 15.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.353 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.479 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 7.0 t0 80.48 19.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.504 ' O ' ' CB ' ' A' ' 42' ' ' SER . 14.8 mt -93.08 163.63 24.57 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.565 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.4 Cg_endo -74.95 161.39 38.96 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.509 1.794 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.56 ' HG2' HG22 ' A' ' 38' ' ' ILE . 12.3 mttt -65.01 -52.18 57.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.8 p-80 -49.21 -47.62 46.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.605 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -53.53 -53.67 48.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.41 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.667 HD11 ' HA ' ' A' ' 42' ' ' SER . 3.8 mt -64.37 -46.31 93.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 58.9 mt -56.37 -64.69 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.79 -60.3 1.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.593 ' HE2' HD21 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -45.11 -53.05 8.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 111.03 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.595 ' CZ ' HD11 ' A' ' 26' ' ' ILE . 1.2 m-85 -54.2 -52.52 60.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 180.0 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 19' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.509 ' O ' ' C ' ' A' ' 18' ' ' ALA . 10.4 tt0 -32.25 -81.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.757 ' HB1' HD13 ' A' ' 45' ' ' LEU . . . -31.74 -49.52 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.678 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 1.1 tp -41.76 -74.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 23' ' ' GLN . . . -43.98 -54.36 6.08 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.474 1.109 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' GLY . 41.2 mt -40.51 -47.13 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.5 0.765 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.758 ' HB3' HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -80.94 -33.76 33.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 20' ' ' GLY . 0.2 OUTLIER -59.74 -40.52 88.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.346 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.0 t -59.42 -41.14 88.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -67.56 -29.6 69.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 110.974 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.565 HG12 ' CE1' ' A' ' 56' ' ' PHE . 86.3 mt -68.68 -42.0 82.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.21 -12.15 60.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.628 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.89 -52.53 4.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.58 HG11 ' CE2' ' A' ' 25' ' ' PHE . 2.9 m -81.44 -48.45 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.525 ' O ' HG23 ' A' ' 26' ' ' ILE . . . 132.29 -107.53 0.72 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 39.6 mt -147.75 40.59 1.0 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -142.39 72.58 21.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.568 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.01 133.12 16.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 111.025 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -94.92 153.66 17.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -42.29 -27.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.26 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -76.74 -46.54 24.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.566 ' HB1' ' CE2' ' A' ' 25' ' ' PHE . . . -62.5 -42.83 99.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.562 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.9 mt -61.87 -41.09 89.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -36.79 76.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.627 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.5 m -72.45 -33.91 67.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.387 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.464 HD22 ' HB2' ' A' ' 22' ' ' LEU . 85.9 mt -74.47 -36.34 63.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.708 ' HA ' HD11 ' A' ' 52' ' ' ILE . 1.6 t -73.85 -16.8 61.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.28 -67.36 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -41.04 -44.87 2.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.256 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.758 HD11 ' HB3' ' A' ' 22' ' ' LEU . 12.5 mt -90.78 -29.64 17.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 3.8 t0 82.05 24.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.45 ' O ' ' CB ' ' A' ' 42' ' ' SER . 15.0 mt -97.7 162.85 20.98 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.64 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.3 Cg_endo -75.07 159.71 40.78 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.466 1.771 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.562 ' HG2' HG22 ' A' ' 38' ' ' ILE . 8.8 mtpt -63.68 -52.88 58.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.557 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.2 p-80 -49.02 -47.55 44.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.635 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -54.99 -60.32 3.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 110.403 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.708 HD11 ' HA ' ' A' ' 42' ' ' SER . 4.6 mt -53.19 -48.05 55.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 87.9 mt -57.86 -58.45 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -43.46 -65.49 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.678 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 2.7 t80 -40.96 -52.87 3.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.568 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 1.1 m-85 -54.39 -53.94 47.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.937 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 110.281 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.535 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.9 mt-10 -35.18 -82.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.647 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -29.09 -45.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.74 ' O ' HD13 ' A' ' 22' ' ' LEU . 0.9 OUTLIER -60.7 -77.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -40.91 -27.11 0.17 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.447 1.092 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 19' ' ' LEU . 36.9 mt -67.81 -64.35 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.859 HD22 ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -71.08 -18.47 62.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.63 ' N ' HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -74.86 -38.13 62.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.7 t -66.14 -33.36 75.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.007 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.776 ' CE2' HG11 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -74.29 -27.56 60.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 111.023 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.531 HD11 ' CZ ' ' A' ' 56' ' ' PHE . 31.2 mt -67.47 -42.1 86.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -77.38 -14.54 59.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.606 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.86 -50.17 6.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.776 HG11 ' CE2' ' A' ' 25' ' ' PHE . 2.2 m -84.02 -48.81 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.478 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 135.51 -143.73 15.39 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.488 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 12.0 mt -126.51 56.07 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.488 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 78.7 m-85 -162.78 63.15 1.33 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.569 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.98 173.05 15.18 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.521 1.8 . . . . 0.0 110.953 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.404 ' C ' ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -123.39 162.18 23.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -45.81 -25.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.33 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -76.21 -49.35 17.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.36 -44.37 97.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.596 HG22 ' HG2' ' A' ' 49' ' ' LYS . 3.0 mt -59.64 -44.61 93.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.03 -42.9 73.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.641 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.8 m -64.54 -35.65 81.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.374 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.683 HD22 ' HB2' ' A' ' 22' ' ' LEU . 35.3 mt -72.26 -35.78 68.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.686 ' HA ' HD11 ' A' ' 52' ' ' ILE . 1.5 t -75.46 -17.0 60.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.25 -66.56 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -42.14 -40.81 2.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.67 HD11 ' HB3' ' A' ' 22' ' ' LEU . 9.2 mt -94.68 -28.75 15.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 3.2 t0 81.79 20.15 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.501 ' O ' ' CB ' ' A' ' 42' ' ' SER . 13.3 mt -95.4 163.47 21.5 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.65 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.3 Cg_endo -74.97 165.77 30.64 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.768 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.596 ' HG2' HG22 ' A' ' 38' ' ' ILE . 13.8 mtpt -69.77 -50.03 47.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.569 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.3 p-80 -49.83 -47.21 51.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.601 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.42 HG21 HD22 ' A' ' 47' ' ' LEU . 2.1 m -57.18 -54.23 49.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.365 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.686 HD11 ' HA ' ' A' ' 42' ' ' SER . 5.2 mt -60.68 -47.72 91.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 56' ' ' PHE . 79.1 mt -57.54 -60.45 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -42.14 -59.6 1.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.652 ' CZ ' HD21 ' A' ' 19' ' ' LEU . 1.4 t80 -52.16 -33.98 42.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.569 ' CE1' ' HG3' ' A' ' 33' ' ' PRO . 0.6 OUTLIER -76.23 -38.54 56.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.276 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.42 129.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 0.735 . . . . 0.0 110.011 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.01 160.7 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.35 174.46 38.76 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.6 p -175.36 135.04 0.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 0.728 . . . . 0.0 110.003 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -78.47 158.36 28.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.991 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.19 94.39 0.12 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.553 1.158 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 177.51 8.49 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.486 1.782 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 60.66 154.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.08 . . . . 0.0 110.276 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.3 p -158.87 131.07 6.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 109.966 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.47 111.37 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.2 t -144.03 163.33 33.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.421 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -148.16 87.87 1.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.65 HG21 ' HB2' ' A' ' 19' ' ' LEU . 14.1 mt -104.23 121.25 55.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.615 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 4.9 m -40.4 -47.28 2.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.973 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.615 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 154.43 -66.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.539 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -36.12 -83.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.711 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -28.65 -59.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.65 ' HB2' HG21 ' A' ' 14' ' ' ILE . 2.4 tp -48.61 -61.82 1.83 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -46.56 -51.12 12.91 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.594 1.184 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' ' 18' ' ' ALA . 37.2 mt -45.82 -75.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.857 ' HB3' HD11 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -45.9 -36.51 5.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -55.47 -42.7 74.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.2 t -61.24 -42.32 98.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.998 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.599 ' CE2' HG11 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -65.68 -29.4 69.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.582 HD11 ' CD1' ' A' ' 22' ' ' LEU . 71.4 mt -68.55 -44.64 82.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -10.59 59.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.598 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -93.47 -54.99 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.599 HG11 ' CE2' ' A' ' 25' ' ' PHE . 3.0 m -78.87 -48.77 21.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.518 ' O ' HG23 ' A' ' 26' ' ' ILE . . . 133.02 -113.51 1.25 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.489 HD11 HG21 ' A' ' 63' ' ' VAL . 46.5 mt -144.76 46.02 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -148.18 70.26 10.88 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 111.036 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.569 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.96 139.8 24.83 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.516 1.798 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.415 ' C ' ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -97.59 156.8 16.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -43.54 -26.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -78.63 -46.85 18.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.468 ' HB1' ' CZ ' ' A' ' 25' ' ' PHE . . . -60.19 -43.59 95.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.579 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.7 mt -60.65 -43.05 94.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -41.06 81.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.58 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.4 m -67.63 -37.0 81.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.403 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.843 HD22 ' HB2' ' A' ' 22' ' ' LEU . 97.0 mt -70.41 -37.85 74.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.693 ' HA ' HD11 ' A' ' 52' ' ' ILE . 2.2 t -73.74 -15.21 61.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.99 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.77 -67.56 0.84 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -41.59 -44.4 3.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.284 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.857 HD11 ' HB3' ' A' ' 22' ' ' LEU . 10.9 mt -91.1 -28.96 17.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 0.5 OUTLIER 81.14 22.3 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.454 ' O ' ' CB ' ' A' ' 42' ' ' SER . 14.0 mt -95.75 163.29 21.6 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.706 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.3 Cg_endo -75.02 160.07 40.55 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.579 ' HG2' HG22 ' A' ' 38' ' ' ILE . 12.6 mtpt -63.64 -53.08 57.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.556 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.1 p-80 -48.88 -47.25 43.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.606 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -54.88 -60.73 2.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.373 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.706 HD12 ' O ' ' A' ' 48' ' ' PRO . 3.9 mt -53.97 -48.44 63.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 96.3 mt -56.46 -60.66 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.85 -68.89 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.486 ' CE2' HD21 ' A' ' 22' ' ' LEU . 0.8 OUTLIER -37.33 -55.55 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.569 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 0.8 OUTLIER -49.98 -53.74 24.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -40.86 -41.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.269 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -58.47 -48.87 79.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 56' ' ' PHE . 59.4 mm-40 -55.24 -45.82 76.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -61.95 -56.73 16.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -45.45 -44.44 12.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -63.48 -63.54 1.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.634 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.489 HG21 HD11 ' A' ' 31' ' ' LEU . 71.5 t -49.26 122.4 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.93 -61.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 -57.42 -61.33 2.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.549 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.54 126.11 30.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.985 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -120.12 -151.85 8.84 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.456 1.097 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 175.91 10.59 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.792 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.1 m 56.33 101.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.102 . . . . 0.0 110.052 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.1 t -48.99 144.34 4.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.974 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.447 1.092 . . . . 0.0 111.028 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.1 -58.5 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 110.004 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 62.45 96.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.981 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.65 150.85 19.47 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 0.0 110.964 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.0 p -82.46 151.84 26.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 110.037 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.94 159.3 44.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 0.0 110.012 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.59 158.68 45.49 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.447 1.092 . . . . 0.0 111.031 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -50.21 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.477 1.777 . . . . 0.0 111.009 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 46.7 mtm180 51.07 97.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.2 m -87.2 84.68 7.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -131.76 112.96 12.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.313 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.0 t -157.9 148.37 20.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.382 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.49 69.49 1.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.687 HG21 ' HB2' ' A' ' 19' ' ' LEU . 20.3 mt -119.11 118.87 59.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.602 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 8.8 m -40.0 -48.34 2.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.98 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.602 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 155.07 -65.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.546 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.9 OUTLIER -36.25 -83.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.339 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.783 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -28.07 -63.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.687 ' HB2' HG21 ' A' ' 14' ' ' ILE . 2.4 tp -43.71 -62.59 1.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -55.03 -42.54 81.36 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.562 1.164 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.7 mt -53.96 -46.74 65.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 0.783 . . . . 0.0 109.353 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.779 ' HB3' HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -75.05 -35.39 61.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -51.03 71.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.239 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.1 t -51.02 -40.69 58.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.586 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -67.29 -30.41 70.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 110.965 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.501 HG12 ' CE1' ' A' ' 56' ' ' PHE . 37.9 mt -68.42 -45.12 82.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.34 -9.27 58.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.552 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.03 -56.51 2.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.35 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.571 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 2.0 m -82.09 -49.4 17.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.489 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 136.39 -148.61 19.78 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.581 HD13 HG11 ' A' ' 63' ' ' VAL . 4.2 mt -121.86 69.72 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.473 ' CD2' ' C ' ' A' ' 31' ' ' LEU . 1.4 p90 179.13 63.39 0.11 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.561 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.2 Cg_endo -75.06 172.44 16.35 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.527 1.803 . . . . 0.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.02 164.61 13.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -47.42 -24.06 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.4 -50.35 11.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.27 -39.48 83.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.615 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.9 mt -65.42 -41.31 90.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -38.36 77.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.609 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.6 m -69.25 -36.37 77.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.436 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.741 HD22 ' HB2' ' A' ' 22' ' ' LEU . 96.2 mt -70.6 -39.21 73.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.692 ' HA ' HD11 ' A' ' 52' ' ' ILE . 2.0 t -71.58 -16.08 62.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.971 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.29 -68.6 0.79 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -40.17 -42.62 1.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.277 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.783 HD22 ' HA ' ' A' ' 18' ' ' ALA . 11.1 mt -92.96 -29.23 15.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER 81.25 23.01 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.46 ' O ' ' CB ' ' A' ' 42' ' ' SER . 15.5 mt -97.41 162.8 21.35 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.794 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.2 Cg_endo -75.0 159.8 40.94 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.615 ' HG2' HG22 ' A' ' 38' ' ' ILE . 13.1 mtpt -64.02 -52.57 58.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.548 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.0 p-80 -49.23 -43.4 42.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.596 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -59.96 -59.3 5.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.408 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.794 HD12 ' O ' ' A' ' 48' ' ' PRO . 3.3 mt -57.32 -48.68 82.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.402 HG12 ' CD1' ' A' ' 38' ' ' ILE . 82.4 mt -56.59 -60.52 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -42.51 -67.39 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.551 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 1.1 t80 -38.28 -58.27 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.561 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 1.1 m-85 -47.25 -53.49 13.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -46.74 -32.1 3.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -69.87 -41.46 74.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 56' ' ' PHE . 6.0 mm100 -59.62 -50.05 75.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -52.33 -58.38 6.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -46.31 -44.43 16.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 20.7 m-70 -59.11 -74.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.624 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.581 HG11 HD13 ' A' ' 31' ' ' LEU . 8.8 p -51.92 147.89 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.25 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.14 164.56 27.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 56.44 89.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.651 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.5 p -116.2 163.93 15.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.424 1.077 . . . . 0.0 109.973 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -58.47 -80.56 0.08 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 102.73 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.519 1.799 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.0 m -61.21 123.19 17.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.996 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.74 122.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.963 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.0 t -151.98 -60.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.786 . . . . 0.0 109.988 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.1 m 65.0 161.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.035 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.15 120.61 4.04 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.2 79.97 1.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 110.044 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.5 p -134.03 138.62 45.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.967 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.62 97.9 0.11 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 125.86 9.59 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.553 1.817 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.85 160.54 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.1 m -118.99 155.75 30.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -64.42 0.9 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.3 p -126.06 141.26 52.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.416 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.44 131.69 14.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.66 HG21 ' HB2' ' A' ' 19' ' ' LEU . 24.4 mt 61.65 119.48 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.614 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 4.1 m -39.46 -47.94 1.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.614 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 154.71 -66.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.536 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -36.11 -83.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.757 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -28.79 -60.92 0.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.66 ' HB2' HG21 ' A' ' 14' ' ' ILE . 2.8 tp -46.74 -61.85 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -51.54 -43.51 52.84 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 42.5 mt -54.75 -58.55 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.84 ' HB3' HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -62.09 -37.98 87.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.414 ' N ' ' HG ' ' A' ' 22' ' ' LEU . 0.8 OUTLIER -53.61 -42.77 68.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.8 t -60.12 -42.08 94.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.581 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -65.64 -30.68 71.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.578 HG23 ' O ' ' A' ' 30' ' ' GLY . 75.6 mt -68.28 -41.16 83.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -11.7 59.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.578 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -91.9 -54.1 4.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.495 HG21 ' CE1' ' A' ' 25' ' ' PHE . 3.8 m -80.75 -45.43 21.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.578 ' O ' HG23 ' A' ' 26' ' ' ILE . . . 130.63 -109.16 0.89 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.488 1.117 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.5 mt -146.84 43.72 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -146.6 74.62 12.47 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.951 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.564 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.97 133.56 16.78 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.467 1.772 . . . . 0.0 110.999 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.5 OUTLIER -89.41 151.31 22.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -40.61 -28.52 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -78.2 -48.52 15.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.499 ' HB1' ' CZ ' ' A' ' 25' ' ' PHE . . . -56.31 -43.15 78.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.535 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.9 mt -59.46 -46.0 93.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.29 -40.99 75.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.579 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.6 m -66.79 -35.91 81.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.393 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.602 HD22 ' HB2' ' A' ' 22' ' ' LEU . 91.2 mt -72.55 -37.3 68.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.677 ' HA ' HD11 ' A' ' 52' ' ' ILE . 2.0 t -73.57 -16.27 61.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.044 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.59 -67.45 0.85 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.112 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -41.83 -44.01 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.84 HD11 ' HB3' ' A' ' 22' ' ' LEU . 11.3 mt -91.42 -28.86 17.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 3.2 t0 81.23 21.17 0.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.462 ' HA ' HD23 ' A' ' 47' ' ' LEU . 15.2 mt -94.05 162.84 25.51 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.242 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.595 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.4 Cg_endo -75.01 159.5 41.26 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.497 1.788 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.535 ' HG2' HG22 ' A' ' 38' ' ' ILE . 8.6 mtpt -64.48 -50.84 65.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.56 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.0 p-80 -50.63 -45.79 57.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.605 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -56.81 -60.05 4.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.435 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.677 HD11 ' HA ' ' A' ' 42' ' ' SER . 4.4 mt -53.53 -46.17 59.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.699 HG22 ' NE2' ' A' ' 57' ' ' GLN . 95.1 mt -59.95 -65.07 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' ILE . 3.4 mptm? -40.17 -59.69 1.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.528 ' CE2' HD21 ' A' ' 22' ' ' LEU . 3.4 t80 -47.07 -55.15 8.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.566 ' CE1' HG12 ' A' ' 26' ' ' ILE . 0.8 OUTLIER -53.39 -51.77 61.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.699 ' NE2' HG22 ' A' ' 53' ' ' ILE . 62.6 mt-30 -42.0 -48.32 4.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -52.24 -53.99 36.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -46.0 -51.94 12.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.58 -51.07 61.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -62.83 -37.22 85.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.962 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -93.64 78.21 4.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.585 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.7 p -146.1 151.66 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.05 159.21 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -50.59 -56.11 13.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.632 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.5 p -40.02 -59.94 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 109.981 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -45.05 156.46 0.29 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 150.94 38.81 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.478 1.778 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 77.3 p -87.38 130.11 34.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.37 116.4 24.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.424 1.078 . . . . 0.0 109.972 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 179.968 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.16 161.25 0.59 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.51 0.771 . . . . 0.0 109.99 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -177.53 166.0 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.019 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.87 -89.22 0.17 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.489 1.118 . . . . 0.0 110.963 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t 74.82 -58.42 0.58 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 0.784 . . . . 0.0 110.022 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.1 164.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 110.028 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.43 172.93 26.87 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 70.32 5.27 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.477 1.777 . . . . 0.0 111.046 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.14 149.42 31.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.326 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.5 t -72.61 113.96 10.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.984 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -130.98 171.15 13.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.295 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 t -62.63 -19.48 63.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.377 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.63 132.41 37.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.898 HD13 HD23 ' A' ' 19' ' ' LEU . 2.9 mp -67.02 123.73 20.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.576 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 3.1 m -39.06 -46.29 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.998 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.576 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 158.14 -71.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.537 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -35.32 -83.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.261 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.602 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -28.99 -51.96 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.898 HD23 HD13 ' A' ' 14' ' ' ILE . 1.0 OUTLIER -52.42 -71.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -42.51 -47.66 5.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 18' ' ' ALA . 48.3 mt -46.2 -47.31 6.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.559 0.799 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.872 ' HB2' HD22 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -81.43 -39.87 24.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.423 ' N ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -54.72 -33.26 60.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.4 t -69.89 -52.45 24.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.998 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.667 ' CE2' HG11 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -55.82 -30.47 61.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 111.034 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.617 HD11 ' CD1' ' A' ' 22' ' ' LEU . 64.8 mt -66.32 -46.81 86.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -72.72 -10.57 59.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.605 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.75 -55.5 3.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.667 HG11 ' CE2' ' A' ' 25' ' ' PHE . 2.9 m -79.54 -49.38 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.548 ' O ' HG23 ' A' ' 26' ' ' ILE . . . 136.51 -129.77 4.98 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.547 1.154 . . . . 0.0 111.018 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.0 mt -136.78 48.52 2.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.756 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.415 ' N ' ' HD3' ' A' ' 33' ' ' PRO . 89.2 m-85 -153.03 63.09 4.57 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.567 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.1 Cg_endo -75.07 174.63 12.47 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.473 1.775 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.45 ' H ' ' HB3' ' A' ' 37' ' ' ALA . 22.1 m-20 -127.82 158.38 37.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -40.91 -28.49 0.08 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.352 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -74.89 -50.18 17.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.309 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.45 ' HB3' ' H ' ' A' ' 34' ' ' ASP . . . -59.59 -42.1 91.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.577 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.9 mt -63.41 -45.84 96.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -46.54 69.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.604 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.7 m -60.78 -35.4 76.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.872 HD22 ' HB2' ' A' ' 22' ' ' LEU . 65.3 mt -72.65 -35.92 67.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.71 ' HA ' HD11 ' A' ' 52' ' ' ILE . 3.2 t -75.47 -15.01 60.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.034 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -99.42 -67.18 0.86 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -41.32 -43.42 2.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.602 HD22 ' HA ' ' A' ' 18' ' ' ALA . 10.4 mt -92.24 -30.02 16.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 14.8 t0 82.06 22.17 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.427 ' O ' ' HA ' ' A' ' 42' ' ' SER . 15.6 mt -96.72 163.41 20.36 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.618 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.3 Cg_endo -75.01 161.15 39.19 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.567 1.825 . . . . 0.0 111.038 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.577 ' HG2' HG22 ' A' ' 38' ' ' ILE . 10.3 mtpt -65.44 -51.11 62.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.8 p-80 -50.14 -47.91 53.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.627 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.3 m -56.79 -55.49 33.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.412 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.71 HD11 ' HA ' ' A' ' 42' ' ' SER . 4.9 mt -59.22 -46.33 92.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.3 mt -58.86 -58.3 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.45 -63.97 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.782 ' CE2' HD21 ' A' ' 19' ' ' LEU . 5.3 t80 -41.84 -61.41 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.573 ' CE1' HG12 ' A' ' 26' ' ' ILE . 1.8 m-85 -43.08 -54.91 4.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -46.24 -31.86 2.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.278 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -65.87 -41.79 91.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 56' ' ' PHE . 6.2 mm100 -60.81 -51.44 69.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 61' ' ' TYR . 80.5 mtt180 -51.25 -55.3 18.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.258 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 60' ' ' ARG . 0.8 OUTLIER -37.73 -56.83 1.04 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -105.48 99.08 8.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.571 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.5 p -144.71 143.34 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -136.02 103.56 5.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -170.34 63.16 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.125 . . . . 0.0 109.547 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.3 t -77.52 126.16 30.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.068 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -95.79 -123.85 4.31 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.549 1.155 . . . . 0.0 110.946 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 58.37 4.9 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.539 1.81 . . . . 0.0 110.972 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.0 t 65.16 92.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.029 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 85.8 p -70.85 133.11 46.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.04 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m 50.65 90.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 0.736 . . . . 0.0 110.013 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.9 p -118.76 159.21 24.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.978 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.13 154.92 9.88 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -170.9 158.68 5.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 0.766 . . . . 0.0 109.937 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.99 160.13 39.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.017 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.17 172.53 34.48 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.424 1.078 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 63.98 5.98 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.79 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 43.53 85.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.39 104.38 9.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.87 138.27 57.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.357 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 t -99.5 151.77 20.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.421 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.91 124.59 3.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.641 HG21 ' HB2' ' A' ' 19' ' ' LEU . 21.0 mt -125.66 119.9 56.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.61 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 4.1 m -40.28 -48.17 2.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.026 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.61 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 155.49 -65.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.532 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.9 OUTLIER -36.73 -83.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.761 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -29.21 -59.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.641 ' HB2' HG21 ' A' ' 14' ' ' ILE . 3.1 tp -47.19 -63.11 1.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -50.53 -44.33 46.21 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.4 mt -53.21 -56.39 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.872 ' HB2' HD22 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -66.09 -37.27 85.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -43.27 71.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.3 t -59.13 -37.91 78.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -71.07 -28.3 64.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 111.013 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.493 HG23 ' O ' ' A' ' 30' ' ' GLY . 12.2 mt -67.63 -40.45 84.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.08 -10.92 59.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.629 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.79 -51.3 5.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.574 HG11 ' CE2' ' A' ' 25' ' ' PHE . 1.5 m -88.26 -49.31 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.493 ' O ' HG23 ' A' ' 26' ' ' ILE . . . 134.61 -116.29 1.58 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.454 1.096 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.2 mt -141.84 36.06 1.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 0.776 . . . . 0.0 109.259 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.401 ' N ' ' HD3' ' A' ' 33' ' ' PRO . 52.1 m-85 -133.12 63.96 68.45 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.555 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.98 129.01 11.95 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.495 1.787 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -85.13 154.41 22.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.251 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -42.05 -27.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -77.62 -47.5 19.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . -58.15 -40.07 80.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.591 HG22 ' HG2' ' A' ' 49' ' ' LYS . 3.4 mt -63.94 -45.33 97.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.1 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -44.09 71.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.626 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.0 m -63.36 -37.2 86.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.379 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.872 HD22 ' HB2' ' A' ' 22' ' ' LEU . 85.2 mt -70.29 -39.46 74.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.692 ' HA ' HD11 ' A' ' 52' ' ' ILE . 1.3 t -71.5 -17.64 62.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.981 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.74 -68.1 0.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -41.27 -43.86 2.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.41 1.069 . . . . 0.0 110.32 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.794 HD11 ' HB3' ' A' ' 22' ' ' LEU . 11.1 mt -90.61 -30.18 17.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 8.7 t0 82.09 23.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.471 ' O ' ' CB ' ' A' ' 42' ' ' SER . 15.0 mt -98.64 163.0 19.83 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.807 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.2 Cg_endo -75.07 159.2 41.37 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.789 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.591 ' HG2' HG22 ' A' ' 38' ' ' ILE . 5.1 mtpm? -62.98 -53.96 45.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.4 p-80 -48.1 -44.24 31.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.596 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -58.63 -60.15 4.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.422 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.807 HD12 ' O ' ' A' ' 48' ' ' PRO . 3.2 mt -56.52 -39.6 63.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 56' ' ' PHE . 96.7 mt -64.16 -57.4 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -44.81 -43.92 9.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.567 ' CE2' HD11 ' A' ' 22' ' ' LEU . 1.9 t80 -62.58 -33.88 75.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.555 ' CE1' ' HG3' ' A' ' 33' ' ' PRO . 4.4 m-85 -84.23 -58.39 2.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.495 ' CG ' ' N ' ' A' ' 58' ' ' ASN . 8.6 pt20 -40.12 -46.61 2.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.495 ' N ' ' CG ' ' A' ' 57' ' ' GLN . 22.7 t30 -67.77 -50.25 58.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -39.92 -50.62 2.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 44.1 mtp180 -45.59 -51.12 12.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -65.12 -29.27 70.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -101.74 78.26 1.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.582 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.7 p -147.88 146.94 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.323 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -105.15 -71.53 0.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.72 106.68 18.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.589 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.2 99.31 3.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.015 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 51.39 -146.71 11.11 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 71.94 4.81 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 0.0 111.005 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.9 t 71.13 -67.02 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.038 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 52.78 94.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.014 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.451 1.095 . . . . 0.0 110.972 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.03 -59.01 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 0.799 . . . . 0.0 110.037 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.1 p -138.64 169.15 18.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.986 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.64 -137.38 4.81 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.34 -66.72 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.3 m 55.17 105.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.997 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.19 152.21 24.31 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.54 1.15 . . . . 0.0 110.953 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 126.05 9.68 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.513 1.796 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -172.85 -65.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 m -133.82 172.34 12.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.018 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.5 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -85.15 70.24 10.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.322 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -90.96 156.07 18.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.4 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -61.86 154.87 24.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.653 HG21 ' HB2' ' A' ' 19' ' ' LEU . 20.6 mt -74.78 120.04 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.615 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 5.0 m -38.99 -47.99 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.007 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.615 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 154.69 -66.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.535 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.3 mt-10 -36.08 -83.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.69 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -28.71 -60.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.653 ' HB2' HG21 ' A' ' 14' ' ' ILE . 2.4 tp -47.95 -61.65 1.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -53.46 -38.79 58.54 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 36.6 mt -59.24 -51.5 71.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.839 ' HB2' HD22 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -70.07 -36.15 74.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.44 -40.99 79.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.349 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.9 t -60.72 -40.67 93.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.016 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.653 ' CE2' HG11 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -68.05 -28.37 67.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.567 HG12 ' CE1' ' A' ' 56' ' ' PHE . 78.6 mt -69.57 -42.49 80.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.15 -12.51 60.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.584 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -92.42 -54.4 3.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.653 HG11 ' CE2' ' A' ' 25' ' ' PHE . 2.4 m -78.94 -47.78 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.565 ' O ' HG23 ' A' ' 26' ' ' ILE . . . 132.78 -112.33 1.12 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.441 1.088 . . . . 0.0 111.011 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 49.3 mt -146.48 42.14 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.779 . . . . 0.0 109.272 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -144.83 71.67 15.13 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.57 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -74.93 138.7 23.56 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.788 . . . . 0.0 111.045 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -96.93 155.12 16.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -43.02 -27.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -78.8 -45.67 20.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.467 ' HB1' ' CZ ' ' A' ' 25' ' ' PHE . . . -61.01 -42.45 98.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.541 HG22 ' HG2' ' A' ' 49' ' ' LYS . 3.0 mt -62.18 -44.51 99.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.86 -41.68 74.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.596 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.3 m -66.73 -36.11 81.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.39 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.839 HD22 ' HB2' ' A' ' 22' ' ' LEU . 75.4 mt -71.58 -36.81 71.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.709 ' HA ' HD11 ' A' ' 52' ' ' ILE . 2.6 t -74.61 -15.13 60.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.974 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.99 -67.45 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -40.9 -46.35 2.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.318 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.695 HD11 ' HB3' ' A' ' 22' ' ' LEU . 11.7 mt -89.13 -29.34 19.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 5.3 t0 81.61 22.56 0.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' A' ' 42' ' ' SER . 14.8 mt -96.26 163.59 20.41 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.784 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.2 Cg_endo -74.98 161.12 39.35 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.428 1.752 . . . . 0.0 111.012 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.541 ' HG2' HG22 ' A' ' 38' ' ' ILE . 12.8 mtpt -65.51 -50.62 64.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.561 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.8 p-80 -50.72 -47.02 59.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.609 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -56.35 -60.0 4.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.411 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.784 HD12 ' O ' ' A' ' 48' ' ' PRO . 3.9 mt -54.42 -47.2 70.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.33 -59.21 3.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.18 -64.76 0.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.559 ' CE2' ' CD1' ' A' ' 19' ' ' LEU . 1.7 t80 -40.53 -56.58 2.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.57 ' CE1' ' HG3' ' A' ' 33' ' ' PRO . 2.4 m-85 -52.74 -56.23 17.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -39.54 -48.84 2.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.43 ' O ' ' CB ' ' A' ' 61' ' ' TYR . 56.0 t30 -60.31 -46.99 87.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -43.31 -60.78 1.56 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.22 -47.07 17.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.337 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.43 ' CB ' ' O ' ' A' ' 58' ' ' ASN . 3.8 t80 -44.91 -31.01 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.965 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -98.85 52.55 0.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.587 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 69.7 t -136.34 115.45 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.63 100.73 13.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.4 -61.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.564 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.16 100.54 10.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.971 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 138.96 90.62 0.21 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 87.58 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.86 142.97 3.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.962 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.9 p -165.64 -58.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.996 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 -179.964 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 p -175.6 -53.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 0.732 . . . . 0.0 110.017 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.79 164.53 26.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.042 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.23 146.09 4.26 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.07 143.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 0.747 . . . . 0.0 109.96 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.1 t -167.94 109.91 0.6 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.448 1.092 . . . . 0.0 109.955 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.45 157.35 1.5 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -56.05 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 62.01 165.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.268 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.5 t -102.02 -54.37 2.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.033 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -125.33 98.74 5.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.324 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.6 t -153.74 166.08 33.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.376 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.2 mttt 62.65 179.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.619 HG21 ' HB2' ' A' ' 19' ' ' LEU . 12.7 mt -55.52 124.31 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.609 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 2.9 m -43.37 -46.11 6.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.05 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.609 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 154.81 -67.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.535 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.0 mt-10 -36.61 -82.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.635 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -29.82 -56.4 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.619 ' HB2' HG21 ' A' ' 14' ' ' ILE . 2.9 tp -53.06 -63.66 1.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -47.37 -43.04 19.35 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.537 1.148 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 44.4 mt -54.01 -65.36 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 109.349 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.746 ' HB3' HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -53.82 -35.07 61.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.499 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -58.69 -39.83 81.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.306 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.6 t -62.63 -43.27 99.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.598 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -65.1 -27.65 68.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.64 HD11 ' CD1' ' A' ' 22' ' ' LEU . 96.5 mt -69.09 -42.96 82.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.07 -12.64 60.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.609 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.75 -51.96 5.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.57 HG11 ' CE2' ' A' ' 25' ' ' PHE . 3.2 m -82.35 -49.79 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.531 ' O ' HG23 ' A' ' 26' ' ' ILE . . . 133.3 -108.81 0.77 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.549 1.156 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.5 mt -147.44 47.49 1.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -150.25 71.99 9.26 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.05 127.15 10.42 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -85.03 153.64 22.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -41.95 -27.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -78.05 -47.39 18.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.271 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.515 ' HB1' ' CZ ' ' A' ' 25' ' ' PHE . . . -58.24 -42.54 86.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.588 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.8 mt -61.25 -42.4 93.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -41.82 85.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.628 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.5 m -66.28 -37.38 85.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.383 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.469 HD22 ' HB2' ' A' ' 22' ' ' LEU . 86.9 mt -70.83 -38.75 73.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.697 ' HA ' HD11 ' A' ' 52' ' ' ILE . 2.1 t -72.3 -15.66 61.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.972 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.98 -68.42 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -40.61 -42.31 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.746 HD11 ' HB3' ' A' ' 22' ' ' LEU . 10.8 mt -93.35 -28.68 16.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 2.4 t0 80.9 22.08 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 47' ' ' LEU . 14.3 mt -95.64 163.14 22.1 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.751 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.3 Cg_endo -75.01 159.22 41.59 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.483 1.781 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.588 ' HG2' HG22 ' A' ' 38' ' ' ILE . 15.7 mtpt -62.86 -52.91 61.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.557 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.2 p-80 -49.26 -45.09 44.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.574 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.41 -60.85 2.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.751 HD12 ' O ' ' A' ' 48' ' ' PRO . 3.4 mt -54.75 -47.85 73.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.426 HG12 ' CD1' ' A' ' 38' ' ' ILE . 95.9 mt -56.99 -61.26 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.49 -71.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.513 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 3.0 t80 -37.5 -54.4 1.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.57 ' CE1' HG12 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -51.2 -52.74 41.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.13 . . . . 0.0 111.009 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -41.61 -34.62 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.285 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.503 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 40.4 t30 -68.76 -48.38 63.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 56' ' ' PHE . 38.5 mm-40 -49.83 -42.95 48.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.531 ' O ' HG12 ' A' ' 63' ' ' VAL . 1.1 mtt180 -68.53 -61.19 1.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -39.75 -36.02 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.503 ' CD2' ' O ' ' A' ' 58' ' ' ASN . 10.7 m170 -56.45 -55.75 29.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.584 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 60' ' ' ARG . 9.8 p -74.28 146.37 10.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -110.99 -64.68 1.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -52.17 153.92 2.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.579 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 60.7 p -167.57 157.7 10.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.996 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -94.23 152.22 20.56 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.592 1.183 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 167.83 26.18 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.484 1.781 . . . . 0.0 111.008 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.7 p -158.52 -60.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.97 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.1 t -149.68 129.7 13.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.421 1.075 . . . . 0.0 110.067 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.472 1.108 . . . . 0.0 110.967 -179.947 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.9 p -144.5 157.77 44.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 110.01 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.52 -58.73 2.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.017 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.51 -175.72 45.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.454 1.096 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.93 102.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.748 . . . . 0.0 109.997 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.7 p -179.0 149.79 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.028 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.34 -76.34 0.42 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 145.24 31.23 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.546 1.813 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.91 120.91 12.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.356 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.6 m -115.22 107.73 15.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 110.071 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -90.23 109.55 20.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.274 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 t -73.61 -33.02 64.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.408 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.0 159.37 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.646 HG21 ' HB2' ' A' ' 19' ' ' LEU . 10.9 mt -101.44 120.12 50.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.607 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 3.6 m -39.13 -47.74 1.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.018 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.607 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 155.32 -66.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.548 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.4 mt-10 -36.17 -83.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.736 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -28.22 -58.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.646 ' HB2' HG21 ' A' ' 14' ' ' ILE . 2.3 tp -50.41 -62.64 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -50.23 -44.68 43.8 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.8 mt -51.69 -58.27 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.703 ' CD1' HD11 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -64.66 -38.25 90.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.39 -48.75 71.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.3 t -55.09 -43.14 73.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.113 . . . . 0.0 110.026 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.623 ' CE2' HG11 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -64.81 -30.79 71.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 111.023 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.703 HD11 ' CD1' ' A' ' 22' ' ' LEU . 92.8 mt -66.95 -43.58 89.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.64 -10.52 59.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.594 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -93.11 -53.46 4.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.623 HG11 ' CE2' ' A' ' 25' ' ' PHE . 2.4 m -82.89 -49.72 16.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.589 ' O ' HG23 ' A' ' 26' ' ' ILE . . . 138.77 -130.47 4.91 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.437 1.086 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 mt -138.56 58.84 1.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 0.756 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -171.17 64.34 0.4 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.956 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.565 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.05 172.25 16.73 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.514 1.797 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.49 165.36 13.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.592 1.183 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -47.65 -24.12 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.59 -51.0 11.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.259 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.26 -40.1 84.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.545 HG22 ' HG2' ' A' ' 49' ' ' LYS . 3.2 mt -64.09 -46.16 94.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -40.24 66.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.585 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.4 m -66.94 -36.68 82.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.385 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.623 HD22 ' HB2' ' A' ' 22' ' ' LEU . 88.2 mt -71.39 -38.87 71.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.698 ' HA ' HD11 ' A' ' 52' ' ' ILE . 1.4 t -72.07 -17.19 62.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.08 -68.09 0.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -40.14 -43.8 1.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.302 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.736 HD22 ' HA ' ' A' ' 18' ' ' ALA . 12.4 mt -91.78 -29.36 16.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 5.3 t0 81.9 23.6 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.247 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.495 ' O ' ' CB ' ' A' ' 42' ' ' SER . 18.2 mt -98.17 162.43 22.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.806 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.2 Cg_endo -75.04 161.9 37.9 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.536 1.809 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.545 ' HG2' HG22 ' A' ' 38' ' ' ILE . 11.7 mtpt -65.84 -52.11 53.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.9 p-80 -49.21 -40.79 34.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.596 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.56 -59.01 5.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.387 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.806 HD12 ' O ' ' A' ' 48' ' ' PRO . 3.2 mt -58.19 -43.87 86.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 80.1 mt -62.58 -61.5 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -41.74 -55.16 3.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.515 ' CE2' HD21 ' A' ' 22' ' ' LEU . 1.1 t80 -51.1 -49.69 60.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.565 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 1.2 m-85 -58.56 -44.3 89.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 111.041 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -50.56 -34.7 26.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -67.93 -52.62 34.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.638 ' O ' HG13 ' A' ' 63' ' ' VAL . 65.6 mm-40 -46.05 -53.1 10.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.723 ' HA ' HG22 ' A' ' 63' ' ' VAL . 7.5 mtp85 -60.98 -48.07 83.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -55.68 -24.12 32.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.411 ' O ' ' N ' ' A' ' 64' ' ' LYS . 1.1 m-70 -91.17 -61.26 1.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.6 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.723 HG22 ' HA ' ' A' ' 60' ' ' ARG . 8.1 m -51.47 94.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 62' ' ' HIS . 2.3 tmtm? -111.65 69.41 0.69 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.248 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -106.27 115.07 29.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.591 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.0 t -133.77 -60.15 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.987 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 157.48 -127.42 1.92 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.445 1.09 . . . . 0.0 111.032 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 81.18 2.27 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.468 1.772 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.63 93.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.024 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.79 113.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.976 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.525 1.14 . . . . 0.0 111.013 179.961 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t 67.33 149.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.972 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m 63.18 147.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.008 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.51 145.4 6.47 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.457 1.098 . . . . 0.0 111.044 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.8 p -142.87 -58.95 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 0.748 . . . . 0.0 110.005 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.57 156.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.025 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.27 -170.21 25.69 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.112 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 165.67 30.85 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.479 1.778 . . . . 0.0 110.949 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -65.76 112.31 3.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.0 141.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.983 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.9 42.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 110.257 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.0 t -165.22 141.96 5.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 110.393 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -167.9 33.82 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.672 HG21 ' HB2' ' A' ' 19' ' ' LEU . 24.7 mt -110.56 120.11 60.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.605 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 7.7 m -40.87 -47.73 2.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.019 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.605 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 155.28 -66.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.542 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.0 OUTLIER -36.38 -83.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.748 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -28.34 -60.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.672 ' HB2' HG21 ' A' ' 14' ' ' ILE . 2.4 tp -47.33 -62.24 1.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -51.07 -46.65 50.46 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.15 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 29.5 mt -49.37 -57.8 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.411 0.713 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.811 ' HB2' HD22 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -64.89 -35.39 80.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.409 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -56.91 -41.08 77.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.327 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.1 t -61.45 -39.89 92.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.0 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.79 ' CE2' HG11 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -68.9 -29.96 68.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.701 HD11 ' CD1' ' A' ' 22' ' ' LEU . 96.3 mt -66.17 -41.47 89.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.89 -13.5 59.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.565 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -90.46 -53.41 4.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.79 HG11 ' CE2' ' A' ' 25' ' ' PHE . 1.5 m -82.86 -45.6 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.571 ' O ' HG23 ' A' ' 26' ' ' ILE . . . 129.25 -117.37 2.4 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.465 1.103 . . . . 0.0 110.985 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.8 mt -141.4 41.81 1.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 0.738 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -143.01 71.4 18.59 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.563 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -75.0 156.19 42.98 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.463 1.77 . . . . 0.0 110.983 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.512 ' H ' ' HB3' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -116.23 157.24 25.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -44.03 -26.43 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -80.07 -44.32 20.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.512 ' HB3' ' H ' ' A' ' 34' ' ' ASP . . . -64.57 -43.76 92.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.597 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.5 mt -61.31 -40.4 85.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -45.86 90.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.622 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.4 m -62.67 -36.11 81.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.403 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.811 HD22 ' HB2' ' A' ' 22' ' ' LEU . 92.5 mt -71.9 -37.52 70.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.719 ' HA ' HD11 ' A' ' 52' ' ' ILE . 1.5 t -73.64 -16.77 61.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.989 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.9 -67.27 0.85 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -40.64 -45.87 2.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.748 HD22 ' HA ' ' A' ' 18' ' ' ALA . 11.8 mt -89.79 -29.97 18.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 5.4 t0 82.04 23.64 0.23 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.425 ' O ' ' HA ' ' A' ' 42' ' ' SER . 15.7 mt -97.89 162.78 21.09 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.801 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.3 Cg_endo -75.01 159.35 41.44 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.769 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.597 ' HG2' HG22 ' A' ' 38' ' ' ILE . 2.0 mtpm? -63.35 -53.26 55.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.557 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.2 p-80 -48.58 -46.21 38.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 109.575 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -58.34 -59.23 5.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.383 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.801 HD12 ' O ' ' A' ' 48' ' ' PRO . 3.7 mt -56.09 -46.14 80.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 96.4 mt -58.21 -58.55 5.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -40.67 -66.4 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.617 ' CE2' ' CD1' ' A' ' 19' ' ' LEU . 1.8 t80 -39.37 -59.43 1.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.573 ' CE1' HG12 ' A' ' 26' ' ' ILE . 1.7 m-85 -47.11 -53.88 11.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -47.21 -29.47 2.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -81.15 -35.96 30.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.576 ' OE1' ' CZ ' ' A' ' 55' ' ' PHE . 2.2 tp60 -56.81 -42.43 79.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -65.4 0.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -41.71 -41.04 2.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.945 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -54.75 -50.33 68.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.639 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.1 p -87.01 165.65 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.32 150.97 0.75 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.12 -58.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.589 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.52 134.26 40.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.996 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.98 120.34 9.57 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 155.58 42.9 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.455 1.766 . . . . 0.0 111.012 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 p -68.81 152.81 44.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.99 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.5 m -52.46 -57.15 10.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.976 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.461 1.101 . . . . 0.0 111.02 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 75.08 -59.01 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 109.993 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.1 p -104.7 93.28 4.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.951 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.21 73.12 1.2 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.45 1.094 . . . . 0.0 111.03 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 p -112.81 -57.24 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 110.029 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 m 68.39 161.47 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.989 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.25 -145.47 4.37 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 67.67 5.89 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.553 1.817 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.9 mtt85 -92.27 164.5 13.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.15 -58.72 3.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.973 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.05 129.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.71 58.21 1.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.433 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.2 mttt 66.22 -87.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.923 HD13 ' CD2' ' A' ' 19' ' ' LEU . 3.2 mp -60.96 115.27 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.54 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 4.0 m -39.05 -48.69 1.68 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.54 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 161.09 -69.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.573 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -36.46 -84.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.677 ' HB1' HD13 ' A' ' 45' ' ' LEU . . . -26.29 -54.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.923 ' CD2' HD13 ' A' ' 14' ' ' ILE . 0.1 OUTLIER -44.87 -67.28 0.3 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 0.0 109.258 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -47.73 -47.41 24.38 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.487 1.117 . . . . 0.0 110.95 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.9 mt -50.16 -58.63 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.775 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.796 ' HB3' HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -66.23 -24.44 66.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.63 -48.51 54.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.7 t -58.14 -41.68 84.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.977 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.537 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -61.1 -38.62 86.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 111.016 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.74 HD12 HD12 ' A' ' 22' ' ' LEU . 1.8 mt -62.33 -44.63 99.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -72.8 -10.15 59.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.589 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.81 -57.52 2.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.537 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 3.9 m -82.13 -50.7 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.476 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 140.92 -142.15 11.96 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.475 1.109 . . . . 0.0 111.041 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.546 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 45.8 mt -129.06 58.98 1.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.771 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.546 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 89.6 m-85 -162.71 63.65 1.41 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.143 . . . . 0.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.03 169.94 21.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.514 1.797 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.415 ' C ' ' N ' ' A' ' 36' ' ' GLU . 0.8 OUTLIER -123.92 166.46 15.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -44.49 -26.02 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -77.4 -51.57 10.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.285 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.404 ' N ' ' HG2' ' A' ' 36' ' ' GLU . . . -58.18 -43.85 87.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.559 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.6 mt -61.58 -40.27 86.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -35.55 76.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.604 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.3 m -72.86 -33.22 65.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.351 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.627 HD22 ' HB2' ' A' ' 22' ' ' LEU . 97.6 mt -74.56 -36.52 63.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.719 ' HA ' HD11 ' A' ' 52' ' ' ILE . 1.1 t -72.87 -18.2 61.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.001 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.08 -67.81 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -40.74 -42.2 1.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.796 HD11 ' HB3' ' A' ' 22' ' ' LEU . 12.3 mt -92.98 -30.21 15.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 7.0 t70 82.64 23.75 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.485 ' O ' ' CB ' ' A' ' 42' ' ' SER . 16.7 mt -99.43 162.63 20.66 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.663 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.3 Cg_endo -74.95 162.07 37.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.486 1.782 . . . . 0.0 111.057 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.559 ' HG2' HG22 ' A' ' 38' ' ' ILE . 13.3 mtpt -65.94 -51.89 54.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.7 p-80 -49.13 -51.5 31.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.58 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.8 m -53.9 -54.2 42.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.395 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.719 HD11 ' HA ' ' A' ' 42' ' ' SER . 5.8 mt -59.83 -51.45 72.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.351 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 95.0 mt -54.54 -60.15 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.53 -60.99 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.629 ' CE2' HD11 ' A' ' 22' ' ' LEU . 2.2 t80 -43.41 -53.44 5.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.677 ' CZ ' HD11 ' A' ' 26' ' ' ILE . 2.4 m-85 -55.19 -49.77 71.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -43.08 -31.44 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -80.95 -43.69 19.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 56' ' ' PHE . 2.9 mm100 -49.04 -55.65 11.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.271 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -39.08 -68.41 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 110.318 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -43.59 -40.65 4.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.463 ' O ' HG23 ' A' ' 63' ' ' VAL . 3.2 m-70 -84.61 79.58 9.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.564 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 62' ' ' HIS . 50.7 t -154.57 131.3 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.77 153.77 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 76.32 -65.06 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.563 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.2 m -107.73 101.76 11.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.044 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -62.63 134.09 44.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 59.72 5.21 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.497 1.788 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 47.27 84.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.996 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.1 t -99.07 101.03 12.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.006 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 t -70.14 95.98 1.03 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.748 . . . . 0.0 110.011 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -167.99 133.96 1.97 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.028 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.43 -130.92 4.61 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.453 1.096 . . . . 0.0 110.962 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t 64.02 110.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 109.983 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.12 154.59 21.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.978 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.58 103.58 0.06 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.432 1.083 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -45.35 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.446 1.761 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.93 -58.13 0.66 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.324 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.4 p 40.07 86.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.002 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.05 -51.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -43.72 133.96 4.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.393 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -79.2 154.54 29.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.615 HG21 ' HB2' ' A' ' 19' ' ' LEU . 15.3 mt -66.27 124.51 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.617 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 4.9 m -42.46 -45.8 4.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 110.024 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.617 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 153.94 -67.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.542 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.2 mt-10 -36.16 -82.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.726 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -29.27 -57.36 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.615 ' HB2' HG21 ' A' ' 14' ' ' ILE . 2.4 tp -52.29 -68.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -45.34 -45.49 11.04 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 77.2 mt -49.28 -64.15 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.811 HD12 HD12 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -61.73 -36.18 80.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.54 -49.17 77.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.326 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.9 t -55.66 -42.41 75.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.021 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.571 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -61.75 -33.0 73.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.811 HD12 HD12 ' A' ' 22' ' ' LEU . 1.8 mt -65.14 -44.15 95.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.85 -11.23 60.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.592 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.25 -58.22 2.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.571 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 2.2 m -84.11 -49.85 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.483 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 139.35 -146.34 17.9 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.46 1.1 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.417 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 17.1 mt -124.66 56.27 1.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.777 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.419 ' N ' ' HD3' ' A' ' 33' ' ' PRO . 87.9 m-85 -158.22 62.88 2.48 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.978 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.575 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.99 177.85 8.04 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.545 1.813 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.531 ' H ' ' HB3' ' A' ' 37' ' ' ALA . 16.4 m-20 -131.1 162.89 28.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -41.38 -28.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -76.93 -52.23 9.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 110.296 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.531 ' HB3' ' H ' ' A' ' 34' ' ' ASP . . . -57.93 -41.0 81.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.584 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.7 mt -64.02 -45.74 95.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.01 -40.04 66.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.596 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.6 m -66.91 -36.91 83.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.408 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.668 HD22 ' HB2' ' A' ' 22' ' ' LEU . 81.9 mt -71.02 -36.41 72.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.66 ' HA ' HD11 ' A' ' 52' ' ' ILE . 1.7 t -75.09 -16.29 60.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.963 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.75 -66.78 0.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -42.2 -43.64 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.726 HD22 ' HA ' ' A' ' 18' ' ' ALA . 10.4 mt -91.86 -27.64 17.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.478 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 1.6 t70 79.96 22.62 0.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 42' ' ' SER . 16.0 mt -96.9 163.31 20.41 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.562 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.3 Cg_endo -75.0 159.22 41.63 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.511 1.795 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.584 ' HG2' HG22 ' A' ' 38' ' ' ILE . 10.3 mtpt -62.43 -54.03 46.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.3 p-80 -48.18 -48.47 34.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.605 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -53.01 -54.97 27.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.424 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.66 HD11 ' HA ' ' A' ' 42' ' ' SER . 4.2 mt -61.79 -53.69 44.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 85.3 mt -50.67 -63.6 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.97 -65.42 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.515 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.7 OUTLIER -39.27 -63.41 0.55 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.575 ' CE1' ' HG3' ' A' ' 33' ' ' PRO . 2.2 m-85 -40.83 -57.54 1.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.061 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -40.01 -49.59 2.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 110.293 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -62.56 -43.38 98.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.552 ' HA ' ' NE2' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -46.92 -55.23 8.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.771 ' HA ' HG22 ' A' ' 63' ' ' VAL . 13.7 mtp180 -63.62 -60.3 3.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -42.08 -28.97 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -85.22 -61.04 1.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.598 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.771 HG22 ' HA ' ' A' ' 60' ' ' ARG . 11.2 m -60.16 160.3 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -147.31 -68.35 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -69.89 109.55 4.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.549 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.6 p -148.07 141.63 25.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 110.028 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.94 96.71 0.12 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.54 1.15 . . . . 0.0 111.032 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 86.91 1.37 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.453 1.765 . . . . 0.0 110.974 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.18 -53.43 3.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.23 86.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.003 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.937 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 179.956 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 p -108.09 141.68 39.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 0.791 . . . . 0.0 110.017 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.2 117.67 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.026 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.0 69.28 1.15 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.2 p -99.65 107.95 20.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 0.0 109.973 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 t -170.47 104.94 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 110.036 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.75 165.73 24.13 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.13 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 73.13 4.4 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.514 1.797 . . . . 0.0 110.984 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.723 ' HB3' HG21 ' A' ' 12' ' ' THR . 5.6 mtp180 -146.86 115.47 6.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.093 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.0 m -79.75 141.34 36.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.036 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 11' ' ' ARG . 0.0 OUTLIER 51.87 93.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.723 HG21 ' HB3' ' A' ' 9' ' ' ARG . 0.7 OUTLIER -179.14 130.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.412 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.4 mttm 62.14 115.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.553 HD13 HD22 ' A' ' 19' ' ' LEU . 3.1 mp -47.27 112.13 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.522 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 4.4 m -39.37 -49.55 2.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.977 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.522 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 161.66 -69.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.56 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -36.5 -84.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.612 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -25.31 -53.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.553 HD22 HD13 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -39.85 -71.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.5 -44.91 37.29 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.513 HG22 HD21 ' A' ' 45' ' ' LEU . 27.6 mt -51.76 -38.01 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 0.781 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.887 ' HB3' HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -86.19 -35.79 19.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -48.45 81.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.5 t -49.28 -44.64 44.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.993 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.763 ' O ' HG22 ' A' ' 29' ' ' VAL . 1.5 t80 -64.2 -46.64 83.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.777 HD11 ' CD1' ' A' ' 22' ' ' LEU . 98.7 mt -53.51 -29.32 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -84.35 -21.87 30.76 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.621 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -83.23 -13.17 55.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.763 HG22 ' O ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -128.23 -89.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.706 ' O ' HG23 ' A' ' 26' ' ' ILE . . . 175.56 -112.75 0.41 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.5 mt -143.52 28.87 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.786 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.429 ' N ' ' HD3' ' A' ' 33' ' ' PRO . 90.7 m-85 -140.27 62.4 20.0 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -75.0 174.94 11.92 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -114.56 158.04 22.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -42.09 -29.81 0.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.41 ' HG2' ' N ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -71.2 -50.55 31.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.681 ' HB1' ' CZ ' ' A' ' 25' ' ' PHE . . . -60.36 -38.48 84.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.4 mt -67.06 -43.26 88.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.322 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.53 -41.11 76.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.568 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.1 m -66.01 -34.87 79.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 110.406 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.744 HD22 ' HB2' ' A' ' 22' ' ' LEU . 94.6 mt -73.98 -37.4 64.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.711 ' HA ' HD11 ' A' ' 52' ' ' ILE . 1.6 t -73.11 -16.72 61.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.998 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.3 -67.84 0.83 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -40.17 -44.02 1.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.887 HD11 ' HB3' ' A' ' 22' ' ' LEU . 11.0 mt -91.83 -29.26 16.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER 81.01 23.54 0.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.422 ' O ' ' HA ' ' A' ' 42' ' ' SER . 16.4 mt -97.77 162.33 22.73 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.744 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.4 Cg_endo -74.96 161.72 38.4 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -65.34 -53.34 45.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.257 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.548 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.9 p-80 -48.1 -43.68 31.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.63 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -60.89 -58.64 7.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.388 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.744 HD12 ' O ' ' A' ' 48' ' ' PRO . 3.8 mt -57.16 -44.29 83.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.61 -59.38 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -44.24 -65.04 0.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.68 ' HE2' HD21 ' A' ' 22' ' ' LEU . 1.9 t80 -42.69 -54.2 4.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.577 ' CZ ' HG12 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -47.81 -49.47 28.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -52.0 -32.05 32.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -68.12 -51.89 41.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -43.47 -56.21 3.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.341 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 -48.75 -59.19 3.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -57.15 -29.07 63.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -106.54 74.46 1.01 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.636 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.8 p -139.8 139.95 36.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.3 -63.99 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 50.6 m170 -71.51 125.99 28.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.619 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.0 t -85.32 120.15 26.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.026 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.84 -178.3 46.29 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.526 1.141 . . . . 0.0 110.958 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 103.61 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.525 1.803 . . . . 0.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.9 t -163.95 131.97 3.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 m -99.92 170.78 8.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 110.01 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.66 -57.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 0.769 . . . . 0.0 110.036 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.53 -56.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 109.995 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.19 172.08 17.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.527 1.142 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.0 p -160.95 -58.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 110.025 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 p -151.14 -59.18 0.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.13 168.9 19.35 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 113.11 3.72 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.529 1.805 . . . . 0.0 110.976 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 69.61 -68.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.0 t 75.75 115.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mtm105 -154.63 127.67 8.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.379 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.6 t -105.56 159.62 15.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.412 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -90.29 132.67 35.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.651 HG21 ' HB2' ' A' ' 19' ' ' LEU . 21.3 mt -88.18 119.69 35.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.604 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 8.7 m -39.33 -48.16 1.83 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.966 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.604 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 155.2 -66.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.539 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.7 mt-10 -36.16 -83.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.841 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -29.01 -59.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.651 ' HB2' HG21 ' A' ' 14' ' ' ILE . 2.9 tp -48.1 -63.6 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -50.35 -46.77 44.39 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.134 . . . . 0.0 111.035 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.436 HD12 ' HA ' ' A' ' 18' ' ' ALA . 19.4 mt -48.3 -55.83 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.754 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.719 HD12 ' CD1' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -69.85 -31.82 69.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -62.72 -40.87 98.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.2 t -64.06 -40.34 96.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.998 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.597 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -65.39 -30.59 71.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.987 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.719 ' CD1' HD12 ' A' ' 22' ' ' LEU . 2.7 mt -64.36 -40.4 88.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -80.05 -13.3 59.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 109.573 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -88.55 -50.24 6.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.597 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 1.5 m -94.59 -48.92 12.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.503 ' CA ' ' O ' ' A' ' 26' ' ' ILE . . . 139.09 -141.66 12.09 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.53 1.143 . . . . 0.0 111.063 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.3 mt -128.16 46.67 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.753 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.404 ' N ' ' HD3' ' A' ' 33' ' ' PRO . 87.9 m-85 -147.34 63.79 8.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.57 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.2 Cg_endo -74.98 174.22 13.15 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.491 1.785 . . . . 0.0 110.992 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.488 ' H ' ' HB3' ' A' ' 37' ' ' ALA . 0.8 OUTLIER -127.34 164.23 22.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -43.36 -26.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -77.8 -51.64 10.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.488 ' HB3' ' H ' ' A' ' 34' ' ' ASP . . . -57.87 -41.87 83.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.589 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.5 mt -63.55 -40.93 90.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -38.05 78.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.637 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.7 m -69.9 -35.46 74.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.425 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.68 HD22 ' HB2' ' A' ' 22' ' ' LEU . 85.8 mt -71.78 -37.98 70.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.694 ' HA ' HD11 ' A' ' 52' ' ' ILE . 1.7 t -72.9 -16.41 61.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.98 -67.87 0.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -41.06 -42.12 1.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.841 HD22 ' HA ' ' A' ' 18' ' ' ALA . 11.7 mt -93.17 -29.74 15.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 2.0 t70 82.02 23.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 42' ' ' SER . 15.8 mt -98.15 163.22 19.73 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.6 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.2 Cg_endo -75.04 158.96 41.75 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.589 ' HG2' HG22 ' A' ' 38' ' ' ILE . 0.6 OUTLIER -61.93 -54.41 42.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.563 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.4 p-80 -47.94 -49.25 30.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.616 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -52.61 -56.57 14.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.439 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.694 HD11 ' HA ' ' A' ' 42' ' ' SER . 3.7 mt -60.81 -47.57 92.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 54' ' ' LYS . 41.4 mt -55.52 -66.46 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -40.3 -65.28 0.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.417 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 1.8 t80 -37.58 -61.64 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.57 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 1.2 m-85 -44.49 -53.55 6.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -39.42 -50.06 2.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -61.8 -44.85 96.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.4 OUTLIER -46.99 -58.5 3.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -42.2 -49.89 4.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -69.48 -34.17 73.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -99.58 89.27 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.593 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.43 ' CG2' ' HB2' ' A' ' 66' ' ' SER . 14.5 p -156.28 146.7 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.38 -70.28 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -103.82 75.6 1.31 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 109.61 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.43 ' HB2' ' CG2' ' A' ' 63' ' ' VAL . 0.5 OUTLIER -177.67 151.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 140.56 -117.34 1.26 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.501 1.125 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 132.95 16.03 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.489 1.783 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 85.0 p -125.6 110.75 14.2 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.031 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.5 m 60.05 152.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.969 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.4 p -71.46 111.06 6.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 0.79 . . . . 0.0 109.974 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.5 p -114.81 103.67 11.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.68 -134.23 1.13 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.446 1.091 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.97 109.34 18.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 0.744 . . . . 0.0 109.98 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -177.28 119.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.999 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.74 -123.74 1.19 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.509 1.131 . . . . 0.0 111.049 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 99.04 1.21 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.446 1.761 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.89 94.8 5.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 68.1 p -131.33 89.98 2.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.972 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -144.77 101.54 3.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.26 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.6 p -64.42 137.39 57.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.416 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -148.82 117.52 6.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.641 HG21 ' HB2' ' A' ' 19' ' ' LEU . 54.7 mt 61.4 120.58 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.621 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 4.2 m -38.6 -47.99 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.993 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.621 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 154.61 -66.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.534 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.6 mt-10 -36.16 -83.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 110.37 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.787 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -28.39 -60.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.641 ' HB2' HG21 ' A' ' 14' ' ' ILE . 2.3 tp -47.94 -62.7 1.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -50.11 -49.11 37.79 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.459 HD12 ' HA ' ' A' ' 18' ' ' ALA . 18.2 mt -45.89 -60.31 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.545 0.791 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.697 ' HB2' HD22 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -63.92 -38.21 90.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.413 ' N ' ' HG ' ' A' ' 22' ' ' LEU . 4.4 tm0? -51.58 -36.02 43.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.1 t -65.76 -38.18 88.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.05 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.677 ' CE2' HG11 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -69.84 -30.68 68.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.496 HG23 ' O ' ' A' ' 30' ' ' GLY . 59.6 mt -66.79 -39.8 84.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -78.45 -13.47 59.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.627 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -90.96 -52.21 4.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.677 HG11 ' CE2' ' A' ' 25' ' ' PHE . 2.5 m -82.75 -47.77 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.496 ' O ' HG23 ' A' ' 26' ' ' ILE . . . 138.86 -87.71 0.21 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.518 1.136 . . . . 0.0 110.955 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.456 HD23 HG23 ' A' ' 26' ' ' ILE . 52.1 mt -151.55 -86.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 0.733 . . . . 0.0 109.36 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.445 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 7.5 p90 -37.52 97.84 0.14 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.972 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.557 ' HG3' ' CE2' ' A' ' 56' ' ' PHE . 18.1 Cg_endo -75.02 -164.77 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.448 1.762 . . . . 0.0 110.971 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.572 ' H ' ' HB3' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -144.26 148.49 34.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.339 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -43.03 -27.01 0.17 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -82.2 -43.33 17.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.261 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.572 ' HB3' ' H ' ' A' ' 34' ' ' ASP . . . -65.53 -42.22 92.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.578 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.6 mt -61.42 -41.01 88.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.256 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -43.07 94.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.645 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.0 m -65.16 -38.75 91.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.427 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.697 HD22 ' HB2' ' A' ' 22' ' ' LEU . 76.0 mt -69.47 -39.27 77.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.677 ' HA ' HD11 ' A' ' 52' ' ' ILE . 1.4 t -71.61 -16.95 62.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.96 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.61 -68.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -40.72 -44.45 2.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.787 HD22 ' HA ' ' A' ' 18' ' ' ALA . 11.4 mt -90.86 -29.31 17.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 0.9 OUTLIER 81.66 22.35 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.461 ' O ' ' CB ' ' A' ' 42' ' ' SER . 16.3 mt -95.6 162.98 22.55 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.664 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.3 Cg_endo -75.03 160.65 39.82 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.437 1.757 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.578 ' HG2' HG22 ' A' ' 38' ' ' ILE . 11.1 mtpt -64.82 -52.07 58.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.547 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.9 p-80 -49.6 -44.24 46.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.599 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -57.73 -58.74 7.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.407 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.677 HD11 ' HA ' ' A' ' 42' ' ' SER . 3.6 mt -57.5 -42.48 81.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 70.2 mt -59.95 -63.83 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.75 -59.09 1.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.519 ' CE2' HD21 ' A' ' 22' ' ' LEU . 1.7 t80 -47.04 -57.54 4.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.557 ' CE2' ' HG3' ' A' ' 33' ' ' PRO . 1.4 m-85 -48.19 -47.46 35.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -58.24 -26.09 62.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -92.66 27.03 2.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.572 ' HA ' ' CE1' ' A' ' 62' ' ' HIS . 3.7 tm0? -113.67 -56.13 2.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.28 -16.97 9.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.554 ' CE1' ' HB3' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -82.79 -22.39 34.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 111.042 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.572 ' CE1' ' HA ' ' A' ' 59' ' ' GLN . 1.1 p-80 -115.79 3.63 13.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.574 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 62' ' ' HIS . 6.3 p -40.43 154.94 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 63' ' ' VAL . 0.2 OUTLIER -40.52 -66.15 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.272 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -50.07 154.47 1.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.586 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.6 p -177.94 131.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 110.032 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -122.03 79.67 0.34 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 96.75 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.482 1.78 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.1 t -101.9 -62.13 1.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 110.035 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.1 p 49.93 78.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.014 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.462 1.101 . . . . 0.0 111.015 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.7 p -166.15 161.24 16.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 109.96 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.66 82.67 6.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.991 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.58 168.8 7.19 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -164.96 125.31 1.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 110.036 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m 62.05 171.59 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.985 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.67 -178.56 33.05 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.125 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 155.23 43.32 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.537 1.809 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -163.97 144.52 8.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.085 . . . . 0.0 110.359 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.8 m 63.54 109.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.007 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -154.37 120.28 5.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.263 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 t -112.5 161.57 16.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.421 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.49 -77.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.662 HD13 HD23 ' A' ' 19' ' ' LEU . 3.7 mp -82.1 127.91 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.613 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -39.24 -44.73 1.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.013 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.613 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 155.2 -71.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.536 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.2 mt-10 -35.58 -82.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.678 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -29.3 -50.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.808 HD21 ' CZ ' ' A' ' 55' ' ' PHE . 1.0 OUTLIER -57.06 -73.42 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -42.89 -35.77 2.34 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.558 1.161 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 44.1 mt -59.26 -53.48 47.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 0.743 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.787 HD12 HD12 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -73.93 -36.8 64.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.406 ' N ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -57.24 -41.74 80.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.3 t -63.65 -50.25 70.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.995 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.618 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -52.95 -36.62 60.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 111.037 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.787 HD12 HD12 ' A' ' 22' ' ' LEU . 1.9 mt -61.24 -47.89 91.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -71.84 -9.64 58.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.608 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.41 -59.26 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.618 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -82.32 -49.96 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.17 . . . . 0.0 109.339 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.513 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . 143.38 -148.58 20.38 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.504 1.127 . . . . 0.0 111.04 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.508 HD21 HG21 ' A' ' 26' ' ' ILE . 5.3 mt -127.54 57.68 1.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 0.744 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.513 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 0.5 OUTLIER -163.76 63.4 1.18 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.571 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -74.99 174.21 13.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.503 1.791 . . . . 0.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -122.39 168.28 12.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -47.41 -23.89 0.69 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.405 ' HG2' ' N ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -79.76 -51.99 8.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.307 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.405 ' N ' ' HG2' ' A' ' 36' ' ' GLU . . . -58.13 -40.21 80.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.584 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.8 mt -63.96 -44.41 97.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -39.91 71.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.605 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.2 m -67.41 -34.68 77.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.403 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.663 HD22 ' HB2' ' A' ' 22' ' ' LEU . 94.6 mt -73.3 -35.8 66.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.71 ' HA ' HD11 ' A' ' 52' ' ' ILE . 2.0 t -75.08 -15.91 60.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.033 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.63 -67.05 0.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -41.45 -43.0 2.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.678 HD22 ' HA ' ' A' ' 18' ' ' ALA . 9.9 mt -92.6 -29.93 15.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER 82.17 21.52 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 47' ' ' LEU . 14.8 mt -96.5 163.18 21.1 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.573 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.2 Cg_endo -75.05 162.54 36.83 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.584 ' HG2' HG22 ' A' ' 38' ' ' ILE . 1.4 mtpm? -65.8 -52.13 53.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.573 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.7 p-80 -48.82 -52.68 22.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.556 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.3 m -52.91 -49.99 64.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.426 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.71 HD11 ' HA ' ' A' ' 42' ' ' SER . 8.2 mt -63.26 -53.18 49.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 95.5 mt -53.47 -59.19 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.13 -64.99 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.808 ' CZ ' HD21 ' A' ' 19' ' ' LEU . 7.0 t80 -44.33 -52.01 7.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.571 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 2.0 m-85 -55.6 -53.63 54.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -41.04 -48.41 3.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -65.87 -48.88 70.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.08 -54.89 2.2 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 110.348 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.604 ' O ' HG12 ' A' ' 63' ' ' VAL . 0.4 OUTLIER -44.78 -60.45 2.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -53.3 -34.72 58.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -102.63 87.92 3.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.621 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.604 HG12 ' O ' ' A' ' 60' ' ' ARG . 9.3 p -151.13 131.73 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.95 90.31 3.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 45.92 82.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.599 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.24 132.04 42.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 110.036 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.52 -145.86 49.08 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.449 1.093 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 64.1 6.04 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 0.0 110.982 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.1 t -102.71 94.39 5.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.7 p -133.31 109.65 9.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.939 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 179.946 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -135.13 -58.45 0.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.764 . . . . 0.0 109.949 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.51 133.81 34.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.963 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.61 159.64 32.09 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.117 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 t -77.03 -59.73 2.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 110.016 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 t -153.05 -60.73 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.83 -175.1 45.9 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 137.23 21.41 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.483 1.781 . . . . 0.0 110.952 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.59 122.61 44.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.0 p -110.28 167.75 9.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.03 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.855 ' O ' HG22 ' A' ' 12' ' ' THR . 0.0 OUTLIER -141.14 162.21 36.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.855 HG22 ' O ' ' A' ' 11' ' ' ARG . 11.8 t 53.96 165.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.394 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.8 tttm -142.53 95.65 2.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.606 HG21 ' HB2' ' A' ' 19' ' ' LEU . 24.0 mt -55.76 123.13 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.624 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 2.5 m -38.94 -46.82 1.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.035 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.624 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 153.63 -66.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.52 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.5 mt-10 -36.27 -83.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.733 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -28.91 -58.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.606 ' HB2' HG21 ' A' ' 14' ' ' ILE . 2.4 tp -51.7 -67.56 0.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -47.24 -43.22 18.68 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.447 1.092 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.7 mt -52.47 -61.83 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.526 0.78 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.831 ' HB2' HD22 ' A' ' 41' ' ' LEU . 0.4 OUTLIER -63.11 -36.47 83.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.06 -41.36 68.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.2 t -61.45 -39.53 91.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.672 ' CE2' HG11 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -68.94 -27.55 65.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.574 HG12 ' CE1' ' A' ' 56' ' ' PHE . 67.1 mt -69.46 -42.0 80.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.41 -12.69 60.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.612 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.9 -53.61 4.2 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.672 HG11 ' CE2' ' A' ' 25' ' ' PHE . 2.3 m -81.22 -45.4 20.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.548 ' O ' HG23 ' A' ' 26' ' ' ILE . . . 127.59 -114.19 1.85 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.9 mt -144.03 49.16 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 0.725 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -149.85 67.96 8.76 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.574 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.05 138.0 22.34 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.469 1.773 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -96.67 155.99 16.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -43.15 -26.81 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.345 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -78.36 -44.65 24.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . -62.89 -42.98 99.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.572 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.7 mt -62.69 -42.98 98.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -35.99 72.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.609 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.4 m -72.57 -34.01 67.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.441 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.831 HD22 ' HB2' ' A' ' 22' ' ' LEU . 92.5 mt -75.04 -34.56 61.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.702 ' HA ' HD11 ' A' ' 52' ' ' ILE . 2.6 t -75.72 -14.9 60.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.046 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -100.47 -67.28 0.86 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -40.56 -41.62 1.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.733 HD22 ' HA ' ' A' ' 18' ' ' ALA . 11.7 mt -95.1 -29.64 14.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 4.3 t0 82.3 21.31 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 47' ' ' LEU . 15.8 mt -94.49 162.64 25.29 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.558 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.4 Cg_endo -75.05 159.43 41.2 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.572 ' HG2' HG22 ' A' ' 38' ' ' ILE . 15.4 mtpt -63.95 -52.52 59.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.0 p-80 -48.97 -48.68 43.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.649 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -55.01 -52.89 61.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.403 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.702 HD11 ' HA ' ' A' ' 42' ' ' SER . 9.0 mt -62.98 -47.11 94.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 91.7 mt -57.38 -63.07 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -41.6 -69.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.47 ' CE2' HD21 ' A' ' 22' ' ' LEU . 0.9 OUTLIER -37.42 -56.45 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.574 ' CE1' HG12 ' A' ' 26' ' ' ILE . 0.6 OUTLIER -49.36 -56.63 8.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -41.93 -42.76 2.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -63.95 -47.99 78.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -42.14 -50.99 4.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -54.35 -62.03 1.92 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -39.46 -59.91 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -95.86 99.23 11.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.602 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.6 p -141.96 147.78 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.417 ' HD2' ' CD2' ' A' ' 65' ' ' HIS . 0.9 OUTLIER -67.21 157.72 33.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.417 ' CD2' ' HD2' ' A' ' 64' ' ' LYS . 20.7 m170 68.29 166.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.593 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.9 163.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.987 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -124.24 121.96 4.62 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.556 1.16 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -50.14 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.512 1.796 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.3 m -151.42 151.83 32.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.997 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.5 m -62.93 163.05 10.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.982 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 m -63.33 139.09 58.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 109.981 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.96 159.02 41.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.013 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.07 87.48 0.06 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.18 93.89 2.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 0.788 . . . . 0.0 109.998 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.81 150.55 50.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.034 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.61 169.09 25.91 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.488 1.118 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -171.73 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.466 1.772 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.04 139.8 47.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.337 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.0 t -133.87 151.51 51.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 110.023 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.02 134.29 52.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.5 t -64.96 150.93 47.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.438 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -174.48 116.5 0.2 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.498 HG21 ' N ' ' A' ' 19' ' ' LEU . 4.0 mp -128.77 123.48 59.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.565 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 1.1 m -39.34 -46.01 1.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.565 ' CB ' ' O ' ' A' ' 15' ' ' SER . 8.9 tp 159.02 -70.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.556 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -36.09 -83.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 110.277 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.68 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -27.78 -47.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.768 ' O ' HD13 ' A' ' 22' ' ' LEU . 0.8 OUTLIER -61.96 -75.61 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -41.46 -26.72 0.24 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.454 HG21 HD21 ' A' ' 45' ' ' LEU . 19.9 mt -67.62 -64.2 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.767 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.843 HD22 ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -70.65 -18.83 62.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.622 ' N ' HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -74.05 -35.88 64.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.268 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.4 t -68.52 -34.52 76.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.023 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.826 ' CE2' HG11 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -73.21 -27.5 61.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.569 HG12 ' CE1' ' A' ' 56' ' ' PHE . 44.3 mt -68.72 -45.1 81.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -73.24 -13.46 61.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.637 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.23 -55.87 3.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.826 HG11 ' CE2' ' A' ' 25' ' ' PHE . 2.1 m -76.63 -47.55 28.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.461 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 133.85 -140.98 12.26 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.469 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 12.6 mt -129.28 56.75 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 0.782 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.469 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 77.8 m-85 -162.38 63.15 1.41 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.567 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.98 173.28 14.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.466 1.772 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' A' ' 36' ' ' GLU . 7.0 m-20 -124.56 163.24 22.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.085 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -46.65 -24.42 0.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -77.86 -50.37 12.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.42 -46.19 89.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.533 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.6 mt -57.97 -47.86 85.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -51.72 -44.03 63.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.608 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.0 m -63.06 -36.0 82.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.431 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.726 HD22 ' HB2' ' A' ' 22' ' ' LEU . 52.9 mt -72.67 -34.11 67.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.698 ' HA ' HD11 ' A' ' 52' ' ' ILE . 1.9 t -78.36 -14.5 59.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.013 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -99.28 -66.17 0.92 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -41.05 -41.46 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.68 HD22 ' HA ' ' A' ' 18' ' ' ALA . 10.2 mt -96.04 -26.17 15.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.464 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 6.2 t0 79.4 20.21 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.469 ' O ' ' CB ' ' A' ' 42' ' ' SER . 16.6 mt -93.43 162.91 26.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.707 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.6 Cg_endo -74.94 163.92 34.47 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.458 1.768 . . . . 0.0 111.041 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.533 ' HG2' HG22 ' A' ' 38' ' ' ILE . 3.0 mtpm? -68.19 -50.95 50.96 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.445 1.09 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.563 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.6 p-80 -49.49 -42.19 42.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.581 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.3 m -61.03 -58.6 7.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.372 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.707 HD12 ' O ' ' A' ' 48' ' ' PRO . 3.8 mt -57.38 -49.55 79.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.411 HG12 HD13 ' A' ' 38' ' ' ILE . 85.1 mt -58.02 -58.19 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.11 -55.77 3.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.687 ' CZ ' HD21 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -53.95 -46.73 71.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.569 ' CE1' HG12 ' A' ' 26' ' ' ILE . 1.2 m-85 -57.67 -46.03 84.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -49.69 -39.64 37.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.08 -52.44 62.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -43.42 -62.77 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.337 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -50.49 -67.38 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -39.88 -58.33 1.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -47.72 -63.74 0.98 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.631 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 62.0 t -49.79 129.37 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.092 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.46 -64.02 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -115.47 128.06 55.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.57 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.63 -58.06 1.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.019 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -174.95 -85.36 0.06 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 98.07 1.13 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.493 1.786 . . . . 0.0 111.033 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.4 m -72.34 158.36 35.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.953 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.58 162.2 1.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.023 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 -179.955 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.92 127.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.763 . . . . 0.0 110.038 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.76 157.88 17.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.018 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.67 131.14 2.97 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.84 -57.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 0.777 . . . . 0.0 109.988 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.58 133.39 16.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.99 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.11 76.94 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.533 1.146 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -56.95 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.57 156.92 14.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.87 148.24 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.024 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -92.73 93.03 8.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.268 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.9 p 38.84 72.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.386 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -126.43 100.73 6.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.559 HG21 ' N ' ' A' ' 19' ' ' LEU . 5.1 mt -120.27 127.27 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.594 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 3.8 m -42.72 -44.31 4.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.011 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.594 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 156.14 -69.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.554 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.1 mt-10 -36.69 -82.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.641 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -28.45 -49.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.765 ' O ' HD13 ' A' ' 22' ' ' LEU . 1.7 tp -64.05 -74.7 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 16' ' ' LEU . . . -40.45 -27.74 0.17 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.54 1.15 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.42 ' N ' ' C ' ' A' ' 19' ' ' LEU . 48.5 mt -66.62 -65.94 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.834 HD22 ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -68.97 -18.57 64.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.173 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.624 ' N ' HD13 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -73.76 -35.01 64.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.105 . . . . 0.0 110.292 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.2 t -69.73 -32.22 70.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 110.067 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.693 ' CE2' HG11 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -75.75 -27.36 58.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.595 HD11 ' CZ ' ' A' ' 56' ' ' PHE . 16.9 mt -67.94 -40.49 83.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -78.56 -15.01 59.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.167 . . . . 0.0 109.591 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -89.02 -48.36 7.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.693 HG11 ' CE2' ' A' ' 25' ' ' PHE . 2.4 m -86.18 -49.61 15.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.488 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 135.53 -139.19 10.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.409 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 16.5 mt -129.46 55.09 1.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.423 ' N ' ' HD3' ' A' ' 33' ' ' PRO . 84.9 m-85 -160.04 62.57 1.87 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.558 1.161 . . . . 0.0 110.972 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.565 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.2 Cg_endo -75.01 176.11 10.35 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.507 1.793 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.78 164.53 21.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -47.52 -23.84 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.9 -52.34 9.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.97 -44.52 87.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.56 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.8 mt -60.17 -44.33 95.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.22 -41.3 71.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.616 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.3 m -66.18 -35.45 80.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.381 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.627 HD22 ' HB2' ' A' ' 22' ' ' LEU . 31.4 mt -72.89 -34.32 66.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.667 ' HA ' HD11 ' A' ' 52' ' ' ILE . 1.3 t -77.63 -17.22 57.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.63 -65.91 0.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -42.12 -40.85 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.641 HD22 ' HA ' ' A' ' 18' ' ' ALA . 8.0 mt -95.42 -26.86 15.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.353 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.479 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 7.0 t0 80.48 19.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.504 ' O ' ' CB ' ' A' ' 42' ' ' SER . 14.8 mt -93.08 163.63 24.57 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.565 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.4 Cg_endo -74.95 161.39 38.96 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.509 1.794 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.56 ' HG2' HG22 ' A' ' 38' ' ' ILE . 12.3 mttt -65.01 -52.18 57.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.8 p-80 -49.21 -47.62 46.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.605 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -53.53 -53.67 48.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.41 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.667 HD11 ' HA ' ' A' ' 42' ' ' SER . 3.8 mt -64.37 -46.31 93.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 58.9 mt -56.37 -64.69 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.79 -60.3 1.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.593 ' HE2' HD21 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -45.11 -53.05 8.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 111.03 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.595 ' CZ ' HD11 ' A' ' 26' ' ' ILE . 1.2 m-85 -54.2 -52.52 60.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -41.32 -53.95 3.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -57.92 -41.45 82.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -56.54 -45.79 80.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.75 -63.49 1.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -37.91 -54.61 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -43.78 -59.71 2.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.572 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 48.2 t -58.59 113.17 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.2 mtpt -144.93 144.69 31.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -98.87 72.68 1.95 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.607 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.61 158.02 2.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.005 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -145.95 -84.7 0.06 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -50.43 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.518 1.799 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.62 130.56 43.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.046 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.17 -58.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.513 1.133 . . . . 0.0 110.948 -179.959 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.86 127.48 13.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 110.024 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 p -177.49 168.38 2.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 110.015 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.9 163.24 25.29 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.05 146.6 15.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 0.729 . . . . 0.0 109.983 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.0 p -178.23 137.86 0.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 110.014 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.97 157.68 16.19 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 179.65 5.89 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.799 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.4 90.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.255 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.07 116.15 30.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -169.11 151.32 4.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.712 ' O ' HD21 ' A' ' 47' ' ' LEU . 1.4 t -56.44 -27.86 57.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.409 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.51 160.56 13.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.623 HG21 HD22 ' A' ' 19' ' ' LEU . 7.7 mt -55.36 -54.97 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.155 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.43 -65.98 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.007 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 19' ' ' LEU . 0.6 OUTLIER -177.86 -73.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.272 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.509 ' O ' ' C ' ' A' ' 18' ' ' ALA . 10.4 tt0 -32.25 -81.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.757 ' HB1' HD13 ' A' ' 45' ' ' LEU . . . -31.74 -49.52 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.678 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 1.1 tp -41.76 -74.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 23' ' ' GLN . . . -43.98 -54.36 6.08 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.474 1.109 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' GLY . 41.2 mt -40.51 -47.13 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.5 0.765 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.758 ' HB3' HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -80.94 -33.76 33.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 20' ' ' GLY . 0.2 OUTLIER -59.74 -40.52 88.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.346 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.0 t -59.42 -41.14 88.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -67.56 -29.6 69.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 110.974 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.565 HG12 ' CE1' ' A' ' 56' ' ' PHE . 86.3 mt -68.68 -42.0 82.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.21 -12.15 60.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.628 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.89 -52.53 4.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.58 HG11 ' CE2' ' A' ' 25' ' ' PHE . 2.9 m -81.44 -48.45 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.525 ' O ' HG23 ' A' ' 26' ' ' ILE . . . 132.29 -107.53 0.72 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.434 ' CD1' HG11 ' A' ' 63' ' ' VAL . 39.6 mt -147.75 40.59 1.0 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -142.39 72.58 21.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.568 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.01 133.12 16.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 111.025 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -94.92 153.66 17.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -42.29 -27.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.26 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -76.74 -46.54 24.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.566 ' HB1' ' CE2' ' A' ' 25' ' ' PHE . . . -62.5 -42.83 99.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.562 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.9 mt -61.87 -41.09 89.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -36.79 76.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.627 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.5 m -72.45 -33.91 67.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.387 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.464 HD22 ' HB2' ' A' ' 22' ' ' LEU . 85.9 mt -74.47 -36.34 63.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.708 ' HA ' HD11 ' A' ' 52' ' ' ILE . 1.6 t -73.85 -16.8 61.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.28 -67.36 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -41.04 -44.87 2.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.256 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.758 HD11 ' HB3' ' A' ' 22' ' ' LEU . 12.5 mt -90.78 -29.64 17.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 3.8 t0 82.05 24.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.712 HD21 ' O ' ' A' ' 12' ' ' THR . 15.0 mt -97.7 162.85 20.98 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.64 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.3 Cg_endo -75.07 159.71 40.78 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.466 1.771 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.562 ' HG2' HG22 ' A' ' 38' ' ' ILE . 8.8 mtpt -63.68 -52.88 58.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.557 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.2 p-80 -49.02 -47.55 44.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.635 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -54.99 -60.32 3.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 110.403 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.708 HD11 ' HA ' ' A' ' 42' ' ' SER . 4.6 mt -53.19 -48.05 55.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 87.9 mt -57.86 -58.45 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -43.46 -65.49 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.678 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 2.7 t80 -40.96 -52.87 3.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.568 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 1.1 m-85 -54.39 -53.94 47.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.937 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -39.46 -40.94 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 110.281 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -64.65 -50.79 65.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.6 OUTLIER -45.82 -53.86 8.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -54.26 -64.62 0.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -40.23 -50.03 2.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -53.64 -76.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.597 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.434 HG11 ' CD1' ' A' ' 31' ' ' LEU . 7.2 p -52.26 151.81 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -126.55 -62.15 1.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -116.98 -65.58 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 109.586 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 69.9 -68.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.977 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -135.66 97.76 0.28 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.525 1.14 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 98.18 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.463 1.77 . . . . 0.0 111.031 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 89.4 p -135.8 94.59 3.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.016 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.8 t -74.02 85.71 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.997 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.127 . . . . 0.0 110.946 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.04 166.34 33.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 110.005 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.2 t -135.24 -58.31 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.66 -175.91 51.23 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.459 1.099 . . . . 0.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.45 149.43 21.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 0.761 . . . . 0.0 110.006 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.4 p -117.01 93.37 4.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.017 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.81 86.66 0.18 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.134 . . . . 0.0 110.966 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 107.49 2.5 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.479 1.779 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.47 -52.89 1.81 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -80.98 -55.04 5.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.979 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 66.14 -76.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 10' ' ' SER . 17.0 p -127.06 86.21 2.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.362 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.87 41.66 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.587 HG21 ' N ' ' A' ' 19' ' ' LEU . 5.0 mp -112.91 126.39 70.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.562 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -39.44 -44.79 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.009 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.562 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 158.51 -73.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.535 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.9 mt-10 -35.18 -82.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.647 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -29.09 -45.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.74 ' O ' HD13 ' A' ' 22' ' ' LEU . 0.9 OUTLIER -60.7 -77.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -40.91 -27.11 0.17 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.447 1.092 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 19' ' ' LEU . 36.9 mt -67.81 -64.35 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.859 HD22 ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -71.08 -18.47 62.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.63 ' N ' HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -74.86 -38.13 62.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.7 t -66.14 -33.36 75.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.007 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.776 ' CE2' HG11 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -74.29 -27.56 60.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 111.023 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.531 HD11 ' CZ ' ' A' ' 56' ' ' PHE . 31.2 mt -67.47 -42.1 86.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -77.38 -14.54 59.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.606 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.86 -50.17 6.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.776 HG11 ' CE2' ' A' ' 25' ' ' PHE . 2.2 m -84.02 -48.81 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.478 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 135.51 -143.73 15.39 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.679 HD13 HG11 ' A' ' 63' ' ' VAL . 12.0 mt -126.51 56.07 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.488 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 78.7 m-85 -162.78 63.15 1.33 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.569 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.98 173.05 15.18 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.521 1.8 . . . . 0.0 110.953 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.404 ' C ' ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -123.39 162.18 23.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -45.81 -25.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.33 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -76.21 -49.35 17.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.36 -44.37 97.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.596 HG22 ' HG2' ' A' ' 49' ' ' LYS . 3.0 mt -59.64 -44.61 93.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.03 -42.9 73.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.641 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.8 m -64.54 -35.65 81.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.374 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.683 HD22 ' HB2' ' A' ' 22' ' ' LEU . 35.3 mt -72.26 -35.78 68.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.686 ' HA ' HD11 ' A' ' 52' ' ' ILE . 1.5 t -75.46 -17.0 60.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.25 -66.56 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -42.14 -40.81 2.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.67 HD11 ' HB3' ' A' ' 22' ' ' LEU . 9.2 mt -94.68 -28.75 15.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 3.2 t0 81.79 20.15 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.501 ' O ' ' CB ' ' A' ' 42' ' ' SER . 13.3 mt -95.4 163.47 21.5 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.65 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.3 Cg_endo -74.97 165.77 30.64 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.768 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.596 ' HG2' HG22 ' A' ' 38' ' ' ILE . 13.8 mtpt -69.77 -50.03 47.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.569 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.3 p-80 -49.83 -47.21 51.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.601 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.42 HG21 HD22 ' A' ' 47' ' ' LEU . 2.1 m -57.18 -54.23 49.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.365 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.686 HD11 ' HA ' ' A' ' 42' ' ' SER . 5.2 mt -60.68 -47.72 91.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 56' ' ' PHE . 79.1 mt -57.54 -60.45 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -42.14 -59.6 1.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.652 ' CZ ' HD21 ' A' ' 19' ' ' LEU . 1.4 t80 -52.16 -33.98 42.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.569 ' CE1' ' HG3' ' A' ' 33' ' ' PRO . 0.6 OUTLIER -76.23 -38.54 56.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -59.16 -26.51 64.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -76.29 -44.13 38.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -48.84 -45.4 40.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.51 -67.37 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.087 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -37.96 -42.12 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -63.95 -81.11 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.568 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.679 HG11 HD13 ' A' ' 31' ' ' LEU . 8.8 p -44.43 149.31 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.69 -66.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -59.26 153.11 19.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.615 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.6 m 58.04 158.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -146.67 153.95 25.67 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 56.36 4.23 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.474 1.776 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.5 m -158.81 111.0 2.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.018 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.8 m -72.96 -55.92 5.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.041 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.476 1.11 . . . . 0.0 110.978 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.539 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -36.12 -83.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.711 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -28.65 -59.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.478 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 2.4 tp -48.61 -61.82 1.83 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -46.56 -51.12 12.91 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.594 1.184 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' ' 18' ' ' ALA . 37.2 mt -45.82 -75.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.857 ' HB3' HD11 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -45.9 -36.51 5.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -55.47 -42.7 74.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.2 t -61.24 -42.32 98.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.998 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.599 ' CE2' HG11 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -65.68 -29.4 69.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.582 HD11 ' CD1' ' A' ' 22' ' ' LEU . 71.4 mt -68.55 -44.64 82.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -10.59 59.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.598 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -93.47 -54.99 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.599 HG11 ' CE2' ' A' ' 25' ' ' PHE . 3.0 m -78.87 -48.77 21.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.518 ' O ' HG23 ' A' ' 26' ' ' ILE . . . 133.02 -113.51 1.25 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 46.5 mt -144.76 46.02 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.268 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -148.18 70.26 10.88 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 111.036 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.569 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.96 139.8 24.83 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.516 1.798 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.415 ' C ' ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -97.59 156.8 16.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -43.54 -26.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -78.63 -46.85 18.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.468 ' HB1' ' CZ ' ' A' ' 25' ' ' PHE . . . -60.19 -43.59 95.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.579 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.7 mt -60.65 -43.05 94.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -41.06 81.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.58 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.4 m -67.63 -37.0 81.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.403 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.843 HD22 ' HB2' ' A' ' 22' ' ' LEU . 97.0 mt -70.41 -37.85 74.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.693 ' HA ' HD11 ' A' ' 52' ' ' ILE . 2.2 t -73.74 -15.21 61.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.99 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.77 -67.56 0.84 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -41.59 -44.4 3.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.284 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.857 HD11 ' HB3' ' A' ' 22' ' ' LEU . 10.9 mt -91.1 -28.96 17.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 0.5 OUTLIER 81.14 22.3 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.454 ' O ' ' CB ' ' A' ' 42' ' ' SER . 14.0 mt -95.75 163.29 21.6 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.706 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.3 Cg_endo -75.02 160.07 40.55 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.579 ' HG2' HG22 ' A' ' 38' ' ' ILE . 12.6 mtpt -63.64 -53.08 57.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.556 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.1 p-80 -48.88 -47.25 43.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.606 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -54.88 -60.73 2.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.373 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.706 HD12 ' O ' ' A' ' 48' ' ' PRO . 3.9 mt -53.97 -48.44 63.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 96.3 mt -56.46 -60.66 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.85 -68.89 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.486 ' CE2' HD21 ' A' ' 22' ' ' LEU . 0.8 OUTLIER -37.33 -55.55 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.569 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 0.8 OUTLIER -49.98 -53.74 24.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.269 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.546 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.9 OUTLIER -36.25 -83.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.339 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.783 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -28.07 -63.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.551 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 2.4 tp -43.71 -62.59 1.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -55.03 -42.54 81.36 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.562 1.164 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.7 mt -53.96 -46.74 65.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 0.783 . . . . 0.0 109.353 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.779 ' HB3' HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -75.05 -35.39 61.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -51.03 71.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.239 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.1 t -51.02 -40.69 58.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.586 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -67.29 -30.41 70.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 110.965 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.501 HG12 ' CE1' ' A' ' 56' ' ' PHE . 37.9 mt -68.42 -45.12 82.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.34 -9.27 58.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.552 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.03 -56.51 2.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.35 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.571 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 2.0 m -82.09 -49.4 17.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.489 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 136.39 -148.61 19.78 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.473 ' C ' ' CD2' ' A' ' 32' ' ' TYR . 4.2 mt -121.86 69.72 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.473 ' CD2' ' C ' ' A' ' 31' ' ' LEU . 1.4 p90 179.13 63.39 0.11 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.561 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.2 Cg_endo -75.06 172.44 16.35 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.527 1.803 . . . . 0.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.02 164.61 13.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -47.42 -24.06 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.4 -50.35 11.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.27 -39.48 83.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.615 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.9 mt -65.42 -41.31 90.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -38.36 77.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.609 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.6 m -69.25 -36.37 77.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.436 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.741 HD22 ' HB2' ' A' ' 22' ' ' LEU . 96.2 mt -70.6 -39.21 73.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.692 ' HA ' HD11 ' A' ' 52' ' ' ILE . 2.0 t -71.58 -16.08 62.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.971 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.29 -68.6 0.79 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -40.17 -42.62 1.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.277 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.783 HD22 ' HA ' ' A' ' 18' ' ' ALA . 11.1 mt -92.96 -29.23 15.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER 81.25 23.01 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.46 ' O ' ' CB ' ' A' ' 42' ' ' SER . 15.5 mt -97.41 162.8 21.35 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.794 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.2 Cg_endo -75.0 159.8 40.94 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.615 ' HG2' HG22 ' A' ' 38' ' ' ILE . 13.1 mtpt -64.02 -52.57 58.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.548 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.0 p-80 -49.23 -43.4 42.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.596 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -59.96 -59.3 5.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.408 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.794 HD12 ' O ' ' A' ' 48' ' ' PRO . 3.3 mt -57.32 -48.68 82.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.402 HG12 ' CD1' ' A' ' 38' ' ' ILE . 82.4 mt -56.59 -60.52 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -42.51 -67.39 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.551 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 1.1 t80 -38.28 -58.27 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.561 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 1.1 m-85 -47.25 -53.49 13.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.536 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -36.11 -83.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.757 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -28.79 -60.92 0.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.433 ' HA ' HD23 ' A' ' 22' ' ' LEU . 2.8 tp -46.74 -61.85 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -51.54 -43.51 52.84 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 42.5 mt -54.75 -58.55 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.84 ' HB3' HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -62.09 -37.98 87.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.414 ' N ' ' HG ' ' A' ' 22' ' ' LEU . 0.8 OUTLIER -53.61 -42.77 68.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.8 t -60.12 -42.08 94.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.581 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -65.64 -30.68 71.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.578 HG23 ' O ' ' A' ' 30' ' ' GLY . 75.6 mt -68.28 -41.16 83.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -11.7 59.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.578 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -91.9 -54.1 4.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.495 HG21 ' CE1' ' A' ' 25' ' ' PHE . 3.8 m -80.75 -45.43 21.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.578 ' O ' HG23 ' A' ' 26' ' ' ILE . . . 130.63 -109.16 0.89 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.488 1.117 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.5 mt -146.84 43.72 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -146.6 74.62 12.47 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.951 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.564 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.97 133.56 16.78 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.467 1.772 . . . . 0.0 110.999 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.5 OUTLIER -89.41 151.31 22.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -40.61 -28.52 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -78.2 -48.52 15.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.499 ' HB1' ' CZ ' ' A' ' 25' ' ' PHE . . . -56.31 -43.15 78.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.535 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.9 mt -59.46 -46.0 93.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.29 -40.99 75.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.579 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.6 m -66.79 -35.91 81.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.393 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.602 HD22 ' HB2' ' A' ' 22' ' ' LEU . 91.2 mt -72.55 -37.3 68.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.677 ' HA ' HD11 ' A' ' 52' ' ' ILE . 2.0 t -73.57 -16.27 61.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.044 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.59 -67.45 0.85 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.112 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -41.83 -44.01 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.84 HD11 ' HB3' ' A' ' 22' ' ' LEU . 11.3 mt -91.42 -28.86 17.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 3.2 t0 81.23 21.17 0.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.462 ' HA ' HD23 ' A' ' 47' ' ' LEU . 15.2 mt -94.05 162.84 25.51 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.242 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.595 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.4 Cg_endo -75.01 159.5 41.26 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.497 1.788 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.535 ' HG2' HG22 ' A' ' 38' ' ' ILE . 8.6 mtpt -64.48 -50.84 65.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.56 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.0 p-80 -50.63 -45.79 57.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.605 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -56.81 -60.05 4.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.435 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.677 HD11 ' HA ' ' A' ' 42' ' ' SER . 4.4 mt -53.53 -46.17 59.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.699 HG22 ' NE2' ' A' ' 57' ' ' GLN . 95.1 mt -59.95 -65.07 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' ILE . 3.4 mptm? -40.17 -59.69 1.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.528 ' CE2' HD21 ' A' ' 22' ' ' LEU . 3.4 t80 -47.07 -55.15 8.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.566 ' CE1' HG12 ' A' ' 26' ' ' ILE . 0.8 OUTLIER -53.39 -51.77 61.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.699 ' NE2' HG22 ' A' ' 53' ' ' ILE . 62.6 mt-30 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.537 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -35.32 -83.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.261 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.602 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -28.99 -51.96 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.782 HD21 ' CE2' ' A' ' 55' ' ' PHE . 1.0 OUTLIER -52.42 -71.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -42.51 -47.66 5.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 18' ' ' ALA . 48.3 mt -46.2 -47.31 6.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.559 0.799 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.872 ' HB2' HD22 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -81.43 -39.87 24.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.423 ' N ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -54.72 -33.26 60.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.4 t -69.89 -52.45 24.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.998 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.667 ' CE2' HG11 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -55.82 -30.47 61.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 111.034 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.617 HD11 ' CD1' ' A' ' 22' ' ' LEU . 64.8 mt -66.32 -46.81 86.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -72.72 -10.57 59.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.605 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.75 -55.5 3.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.667 HG11 ' CE2' ' A' ' 25' ' ' PHE . 2.9 m -79.54 -49.38 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.548 ' O ' HG23 ' A' ' 26' ' ' ILE . . . 136.51 -129.77 4.98 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.547 1.154 . . . . 0.0 111.018 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.0 mt -136.78 48.52 2.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.756 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.415 ' N ' ' HD3' ' A' ' 33' ' ' PRO . 89.2 m-85 -153.03 63.09 4.57 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.567 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.1 Cg_endo -75.07 174.63 12.47 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.473 1.775 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.45 ' H ' ' HB3' ' A' ' 37' ' ' ALA . 22.1 m-20 -127.82 158.38 37.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -40.91 -28.49 0.08 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.352 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -74.89 -50.18 17.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.309 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.45 ' HB3' ' H ' ' A' ' 34' ' ' ASP . . . -59.59 -42.1 91.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.577 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.9 mt -63.41 -45.84 96.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -46.54 69.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.604 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.7 m -60.78 -35.4 76.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.872 HD22 ' HB2' ' A' ' 22' ' ' LEU . 65.3 mt -72.65 -35.92 67.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.71 ' HA ' HD11 ' A' ' 52' ' ' ILE . 3.2 t -75.47 -15.01 60.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.034 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -99.42 -67.18 0.86 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -41.32 -43.42 2.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.602 HD22 ' HA ' ' A' ' 18' ' ' ALA . 10.4 mt -92.24 -30.02 16.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 14.8 t0 82.06 22.17 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.427 ' O ' ' HA ' ' A' ' 42' ' ' SER . 15.6 mt -96.72 163.41 20.36 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.618 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.3 Cg_endo -75.01 161.15 39.19 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.567 1.825 . . . . 0.0 111.038 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.577 ' HG2' HG22 ' A' ' 38' ' ' ILE . 10.3 mtpt -65.44 -51.11 62.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.8 p-80 -50.14 -47.91 53.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.627 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.3 m -56.79 -55.49 33.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.412 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.71 HD11 ' HA ' ' A' ' 42' ' ' SER . 4.9 mt -59.22 -46.33 92.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.3 mt -58.86 -58.3 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.45 -63.97 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.782 ' CE2' HD21 ' A' ' 19' ' ' LEU . 5.3 t80 -41.84 -61.41 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.573 ' CE1' HG12 ' A' ' 26' ' ' ILE . 1.8 m-85 -43.08 -54.91 4.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.278 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.532 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.9 OUTLIER -36.73 -83.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.761 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -29.21 -59.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.504 ' CD1' ' CE2' ' A' ' 55' ' ' PHE . 3.1 tp -47.19 -63.11 1.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -50.53 -44.33 46.21 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.4 mt -53.21 -56.39 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.872 ' HB2' HD22 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -66.09 -37.27 85.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -43.27 71.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.3 t -59.13 -37.91 78.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -71.07 -28.3 64.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 111.013 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.493 HG23 ' O ' ' A' ' 30' ' ' GLY . 12.2 mt -67.63 -40.45 84.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.08 -10.92 59.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.629 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.79 -51.3 5.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.574 HG11 ' CE2' ' A' ' 25' ' ' PHE . 1.5 m -88.26 -49.31 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.493 ' O ' HG23 ' A' ' 26' ' ' ILE . . . 134.61 -116.29 1.58 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.454 1.096 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.2 mt -141.84 36.06 1.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 0.776 . . . . 0.0 109.259 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.401 ' N ' ' HD3' ' A' ' 33' ' ' PRO . 52.1 m-85 -133.12 63.96 68.45 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.555 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.98 129.01 11.95 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.495 1.787 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -85.13 154.41 22.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.251 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -42.05 -27.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -77.62 -47.5 19.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . -58.15 -40.07 80.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.591 HG22 ' HG2' ' A' ' 49' ' ' LYS . 3.4 mt -63.94 -45.33 97.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.1 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -44.09 71.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.626 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.0 m -63.36 -37.2 86.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.379 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.872 HD22 ' HB2' ' A' ' 22' ' ' LEU . 85.2 mt -70.29 -39.46 74.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.692 ' HA ' HD11 ' A' ' 52' ' ' ILE . 1.3 t -71.5 -17.64 62.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.981 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.74 -68.1 0.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -41.27 -43.86 2.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.41 1.069 . . . . 0.0 110.32 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.794 HD11 ' HB3' ' A' ' 22' ' ' LEU . 11.1 mt -90.61 -30.18 17.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 8.7 t0 82.09 23.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.471 ' O ' ' CB ' ' A' ' 42' ' ' SER . 15.0 mt -98.64 163.0 19.83 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.807 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.2 Cg_endo -75.07 159.2 41.37 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.789 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.591 ' HG2' HG22 ' A' ' 38' ' ' ILE . 5.1 mtpm? -62.98 -53.96 45.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.4 p-80 -48.1 -44.24 31.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.596 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -58.63 -60.15 4.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.422 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.807 HD12 ' O ' ' A' ' 48' ' ' PRO . 3.2 mt -56.52 -39.6 63.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 56' ' ' PHE . 96.7 mt -64.16 -57.4 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -44.81 -43.92 9.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.567 ' CE2' HD11 ' A' ' 22' ' ' LEU . 1.9 t80 -62.58 -33.88 75.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.555 ' CE1' ' HG3' ' A' ' 33' ' ' PRO . 4.4 m-85 -84.23 -58.39 2.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.305 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.535 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.3 mt-10 -36.08 -83.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.69 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -28.71 -60.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.559 ' CD1' ' CE2' ' A' ' 55' ' ' PHE . 2.4 tp -47.95 -61.65 1.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -53.46 -38.79 58.54 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 36.6 mt -59.24 -51.5 71.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.839 ' HB2' HD22 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -70.07 -36.15 74.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.44 -40.99 79.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.349 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.9 t -60.72 -40.67 93.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.016 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.653 ' CE2' HG11 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -68.05 -28.37 67.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.567 HG12 ' CE1' ' A' ' 56' ' ' PHE . 78.6 mt -69.57 -42.49 80.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.15 -12.51 60.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.584 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -92.42 -54.4 3.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.653 HG11 ' CE2' ' A' ' 25' ' ' PHE . 2.4 m -78.94 -47.78 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.565 ' O ' HG23 ' A' ' 26' ' ' ILE . . . 132.78 -112.33 1.12 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.441 1.088 . . . . 0.0 111.011 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 49.3 mt -146.48 42.14 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.779 . . . . 0.0 109.272 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -144.83 71.67 15.13 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.57 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -74.93 138.7 23.56 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.788 . . . . 0.0 111.045 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -96.93 155.12 16.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -43.02 -27.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -78.8 -45.67 20.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.467 ' HB1' ' CZ ' ' A' ' 25' ' ' PHE . . . -61.01 -42.45 98.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.541 HG22 ' HG2' ' A' ' 49' ' ' LYS . 3.0 mt -62.18 -44.51 99.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.86 -41.68 74.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.596 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.3 m -66.73 -36.11 81.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.39 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.839 HD22 ' HB2' ' A' ' 22' ' ' LEU . 75.4 mt -71.58 -36.81 71.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.709 ' HA ' HD11 ' A' ' 52' ' ' ILE . 2.6 t -74.61 -15.13 60.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.974 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.99 -67.45 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -40.9 -46.35 2.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.318 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.695 HD11 ' HB3' ' A' ' 22' ' ' LEU . 11.7 mt -89.13 -29.34 19.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 5.3 t0 81.61 22.56 0.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' A' ' 42' ' ' SER . 14.8 mt -96.26 163.59 20.41 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.784 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.2 Cg_endo -74.98 161.12 39.35 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.428 1.752 . . . . 0.0 111.012 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.541 ' HG2' HG22 ' A' ' 38' ' ' ILE . 12.8 mtpt -65.51 -50.62 64.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.561 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.8 p-80 -50.72 -47.02 59.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.609 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -56.35 -60.0 4.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.411 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.784 HD12 ' O ' ' A' ' 48' ' ' PRO . 3.9 mt -54.42 -47.2 70.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.33 -59.21 3.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.18 -64.76 0.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.559 ' CE2' ' CD1' ' A' ' 19' ' ' LEU . 1.7 t80 -40.53 -56.58 2.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.57 ' CE1' ' HG3' ' A' ' 33' ' ' PRO . 2.4 m-85 -52.74 -56.23 17.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.535 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.0 mt-10 -36.61 -82.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.635 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -29.82 -56.4 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.513 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 2.9 tp -53.06 -63.66 1.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -47.37 -43.04 19.35 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.537 1.148 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 44.4 mt -54.01 -65.36 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 109.349 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.746 ' HB3' HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -53.82 -35.07 61.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.499 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -58.69 -39.83 81.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.306 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.6 t -62.63 -43.27 99.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.598 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -65.1 -27.65 68.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.64 HD11 ' CD1' ' A' ' 22' ' ' LEU . 96.5 mt -69.09 -42.96 82.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.07 -12.64 60.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.609 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.75 -51.96 5.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.57 HG11 ' CE2' ' A' ' 25' ' ' PHE . 3.2 m -82.35 -49.79 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.531 ' O ' HG23 ' A' ' 26' ' ' ILE . . . 133.3 -108.81 0.77 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.549 1.156 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.5 mt -147.44 47.49 1.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -150.25 71.99 9.26 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.05 127.15 10.42 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -85.03 153.64 22.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -41.95 -27.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -78.05 -47.39 18.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.271 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.515 ' HB1' ' CZ ' ' A' ' 25' ' ' PHE . . . -58.24 -42.54 86.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.588 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.8 mt -61.25 -42.4 93.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -41.82 85.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.628 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.5 m -66.28 -37.38 85.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.383 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.469 HD22 ' HB2' ' A' ' 22' ' ' LEU . 86.9 mt -70.83 -38.75 73.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.697 ' HA ' HD11 ' A' ' 52' ' ' ILE . 2.1 t -72.3 -15.66 61.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.972 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.98 -68.42 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -40.61 -42.31 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.746 HD11 ' HB3' ' A' ' 22' ' ' LEU . 10.8 mt -93.35 -28.68 16.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 2.4 t0 80.9 22.08 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 47' ' ' LEU . 14.3 mt -95.64 163.14 22.1 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.751 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.3 Cg_endo -75.01 159.22 41.59 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.483 1.781 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.588 ' HG2' HG22 ' A' ' 38' ' ' ILE . 15.7 mtpt -62.86 -52.91 61.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.557 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.2 p-80 -49.26 -45.09 44.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.574 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.41 -60.85 2.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.751 HD12 ' O ' ' A' ' 48' ' ' PRO . 3.4 mt -54.75 -47.85 73.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.799 HG22 HE21 ' A' ' 57' ' ' GLN . 95.9 mt -56.99 -61.26 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.49 -71.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.513 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 3.0 t80 -37.5 -54.4 1.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.57 ' CE1' HG12 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -51.2 -52.74 41.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.13 . . . . 0.0 111.009 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.799 HE21 HG22 ' A' ' 53' ' ' ILE . 76.0 mt-30 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.285 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.548 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.4 mt-10 -36.17 -83.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.736 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -28.22 -58.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.441 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 2.3 tp -50.41 -62.64 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -50.23 -44.68 43.8 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.8 mt -51.69 -58.27 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.703 ' CD1' HD11 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -64.66 -38.25 90.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.39 -48.75 71.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.3 t -55.09 -43.14 73.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.113 . . . . 0.0 110.026 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.623 ' CE2' HG11 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -64.81 -30.79 71.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 111.023 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.703 HD11 ' CD1' ' A' ' 22' ' ' LEU . 92.8 mt -66.95 -43.58 89.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.64 -10.52 59.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.594 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -93.11 -53.46 4.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.623 HG11 ' CE2' ' A' ' 25' ' ' PHE . 2.4 m -82.89 -49.72 16.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.589 ' O ' HG23 ' A' ' 26' ' ' ILE . . . 138.77 -130.47 4.91 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.437 1.086 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 mt -138.56 58.84 1.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 0.756 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -171.17 64.34 0.4 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.956 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.565 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.05 172.25 16.73 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.514 1.797 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.49 165.36 13.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.592 1.183 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -47.65 -24.12 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.59 -51.0 11.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.259 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.26 -40.1 84.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.545 HG22 ' HG2' ' A' ' 49' ' ' LYS . 3.2 mt -64.09 -46.16 94.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -40.24 66.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.585 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.4 m -66.94 -36.68 82.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.385 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.623 HD22 ' HB2' ' A' ' 22' ' ' LEU . 88.2 mt -71.39 -38.87 71.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.698 ' HA ' HD11 ' A' ' 52' ' ' ILE . 1.4 t -72.07 -17.19 62.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.08 -68.09 0.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -40.14 -43.8 1.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.302 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.736 HD22 ' HA ' ' A' ' 18' ' ' ALA . 12.4 mt -91.78 -29.36 16.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 5.3 t0 81.9 23.6 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.247 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.495 ' O ' ' CB ' ' A' ' 42' ' ' SER . 18.2 mt -98.17 162.43 22.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.806 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.2 Cg_endo -75.04 161.9 37.9 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.536 1.809 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.545 ' HG2' HG22 ' A' ' 38' ' ' ILE . 11.7 mtpt -65.84 -52.11 53.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.9 p-80 -49.21 -40.79 34.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.596 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.56 -59.01 5.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.387 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.806 HD12 ' O ' ' A' ' 48' ' ' PRO . 3.2 mt -58.19 -43.87 86.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 80.1 mt -62.58 -61.5 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -41.74 -55.16 3.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.515 ' CE2' HD21 ' A' ' 22' ' ' LEU . 1.1 t80 -51.1 -49.69 60.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.565 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 1.2 m-85 -58.56 -44.3 89.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 111.041 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.542 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.0 OUTLIER -36.38 -83.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.748 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -28.34 -60.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.617 ' CD1' ' CE2' ' A' ' 55' ' ' PHE . 2.4 tp -47.33 -62.24 1.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -51.07 -46.65 50.46 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.15 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 29.5 mt -49.37 -57.8 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.411 0.713 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.811 ' HB2' HD22 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -64.89 -35.39 80.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.409 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -56.91 -41.08 77.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.327 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.1 t -61.45 -39.89 92.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.0 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.79 ' CE2' HG11 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -68.9 -29.96 68.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.701 HD11 ' CD1' ' A' ' 22' ' ' LEU . 96.3 mt -66.17 -41.47 89.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.89 -13.5 59.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.565 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -90.46 -53.41 4.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.79 HG11 ' CE2' ' A' ' 25' ' ' PHE . 1.5 m -82.86 -45.6 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.571 ' O ' HG23 ' A' ' 26' ' ' ILE . . . 129.25 -117.37 2.4 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.465 1.103 . . . . 0.0 110.985 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.8 mt -141.4 41.81 1.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 0.738 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -143.01 71.4 18.59 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.563 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -75.0 156.19 42.98 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.463 1.77 . . . . 0.0 110.983 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.512 ' H ' ' HB3' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -116.23 157.24 25.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -44.03 -26.43 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -80.07 -44.32 20.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.512 ' HB3' ' H ' ' A' ' 34' ' ' ASP . . . -64.57 -43.76 92.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.597 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.5 mt -61.31 -40.4 85.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -45.86 90.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.622 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.4 m -62.67 -36.11 81.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.403 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.811 HD22 ' HB2' ' A' ' 22' ' ' LEU . 92.5 mt -71.9 -37.52 70.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.719 ' HA ' HD11 ' A' ' 52' ' ' ILE . 1.5 t -73.64 -16.77 61.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.989 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.9 -67.27 0.85 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -40.64 -45.87 2.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.748 HD22 ' HA ' ' A' ' 18' ' ' ALA . 11.8 mt -89.79 -29.97 18.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 5.4 t0 82.04 23.64 0.23 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.425 ' O ' ' HA ' ' A' ' 42' ' ' SER . 15.7 mt -97.89 162.78 21.09 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.801 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.3 Cg_endo -75.01 159.35 41.44 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.769 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.597 ' HG2' HG22 ' A' ' 38' ' ' ILE . 2.0 mtpm? -63.35 -53.26 55.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.557 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.2 p-80 -48.58 -46.21 38.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 109.575 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -58.34 -59.23 5.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.383 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.801 HD12 ' O ' ' A' ' 48' ' ' PRO . 3.7 mt -56.09 -46.14 80.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 96.4 mt -58.21 -58.55 5.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -40.67 -66.4 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.617 ' CE2' ' CD1' ' A' ' 19' ' ' LEU . 1.8 t80 -39.37 -59.43 1.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.573 ' CE1' HG12 ' A' ' 26' ' ' ILE . 1.7 m-85 -47.11 -53.88 11.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.974 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.573 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -36.46 -84.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.677 ' HB1' HD13 ' A' ' 45' ' ' LEU . . . -26.29 -54.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.547 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -44.87 -67.28 0.3 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 0.0 109.258 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -47.73 -47.41 24.38 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.487 1.117 . . . . 0.0 110.95 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.9 mt -50.16 -58.63 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.775 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.796 ' HB3' HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -66.23 -24.44 66.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.63 -48.51 54.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.7 t -58.14 -41.68 84.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.977 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.537 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -61.1 -38.62 86.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 111.016 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.74 HD12 HD12 ' A' ' 22' ' ' LEU . 1.8 mt -62.33 -44.63 99.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -72.8 -10.15 59.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.589 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.81 -57.52 2.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.537 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 3.9 m -82.13 -50.7 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.476 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 140.92 -142.15 11.96 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.475 1.109 . . . . 0.0 111.041 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.546 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 45.8 mt -129.06 58.98 1.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.771 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.546 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 89.6 m-85 -162.71 63.65 1.41 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.143 . . . . 0.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.03 169.94 21.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.514 1.797 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.415 ' C ' ' N ' ' A' ' 36' ' ' GLU . 0.8 OUTLIER -123.92 166.46 15.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -44.49 -26.02 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -77.4 -51.57 10.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.285 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.404 ' N ' ' HG2' ' A' ' 36' ' ' GLU . . . -58.18 -43.85 87.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.559 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.6 mt -61.58 -40.27 86.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -35.55 76.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.604 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.3 m -72.86 -33.22 65.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.351 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.627 HD22 ' HB2' ' A' ' 22' ' ' LEU . 97.6 mt -74.56 -36.52 63.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.719 ' HA ' HD11 ' A' ' 52' ' ' ILE . 1.1 t -72.87 -18.2 61.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.001 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.08 -67.81 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -40.74 -42.2 1.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.796 HD11 ' HB3' ' A' ' 22' ' ' LEU . 12.3 mt -92.98 -30.21 15.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 7.0 t70 82.64 23.75 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.485 ' O ' ' CB ' ' A' ' 42' ' ' SER . 16.7 mt -99.43 162.63 20.66 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.663 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.3 Cg_endo -74.95 162.07 37.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.486 1.782 . . . . 0.0 111.057 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.559 ' HG2' HG22 ' A' ' 38' ' ' ILE . 13.3 mtpt -65.94 -51.89 54.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.7 p-80 -49.13 -51.5 31.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.58 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.8 m -53.9 -54.2 42.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.395 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.719 HD11 ' HA ' ' A' ' 42' ' ' SER . 5.8 mt -59.83 -51.45 72.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.351 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.706 HG22 HE21 ' A' ' 57' ' ' GLN . 95.0 mt -54.54 -60.15 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.53 -60.99 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.629 ' CE2' HD11 ' A' ' 22' ' ' LEU . 2.2 t80 -43.41 -53.44 5.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.677 ' CZ ' HD11 ' A' ' 26' ' ' ILE . 2.4 m-85 -55.19 -49.77 71.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.706 HE21 HG22 ' A' ' 53' ' ' ILE . 47.5 mt-30 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.542 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.2 mt-10 -36.16 -82.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.726 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -29.27 -57.36 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.475 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 2.4 tp -52.29 -68.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -45.34 -45.49 11.04 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 77.2 mt -49.28 -64.15 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.811 HD12 HD12 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -61.73 -36.18 80.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.54 -49.17 77.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.326 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.9 t -55.66 -42.41 75.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.021 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.571 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -61.75 -33.0 73.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.811 HD12 HD12 ' A' ' 22' ' ' LEU . 1.8 mt -65.14 -44.15 95.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.85 -11.23 60.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.592 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.25 -58.22 2.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.571 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 2.2 m -84.11 -49.85 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.483 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 139.35 -146.34 17.9 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.46 1.1 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.417 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 17.1 mt -124.66 56.27 1.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.777 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.419 ' N ' ' HD3' ' A' ' 33' ' ' PRO . 87.9 m-85 -158.22 62.88 2.48 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.978 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.575 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.99 177.85 8.04 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.545 1.813 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.531 ' H ' ' HB3' ' A' ' 37' ' ' ALA . 16.4 m-20 -131.1 162.89 28.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -41.38 -28.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -76.93 -52.23 9.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 110.296 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.531 ' HB3' ' H ' ' A' ' 34' ' ' ASP . . . -57.93 -41.0 81.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.584 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.7 mt -64.02 -45.74 95.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.01 -40.04 66.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.596 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.6 m -66.91 -36.91 83.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.408 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.668 HD22 ' HB2' ' A' ' 22' ' ' LEU . 81.9 mt -71.02 -36.41 72.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.66 ' HA ' HD11 ' A' ' 52' ' ' ILE . 1.7 t -75.09 -16.29 60.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.963 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.75 -66.78 0.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -42.2 -43.64 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.726 HD22 ' HA ' ' A' ' 18' ' ' ALA . 10.4 mt -91.86 -27.64 17.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.478 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 1.6 t70 79.96 22.62 0.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 42' ' ' SER . 16.0 mt -96.9 163.31 20.41 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.562 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.3 Cg_endo -75.0 159.22 41.63 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.511 1.795 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.584 ' HG2' HG22 ' A' ' 38' ' ' ILE . 10.3 mtpt -62.43 -54.03 46.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.3 p-80 -48.18 -48.47 34.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.605 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -53.01 -54.97 27.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.424 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.66 HD11 ' HA ' ' A' ' 42' ' ' SER . 4.2 mt -61.79 -53.69 44.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 85.3 mt -50.67 -63.6 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.97 -65.42 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.515 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.7 OUTLIER -39.27 -63.41 0.55 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.575 ' CE1' ' HG3' ' A' ' 33' ' ' PRO . 2.2 m-85 -40.83 -57.54 1.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.061 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 110.293 179.955 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.433 ' O ' ' CB ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.56 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -36.5 -84.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.612 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -25.31 -53.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.433 ' CB ' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -39.85 -71.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.5 -44.91 37.29 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.513 HG22 HD21 ' A' ' 45' ' ' LEU . 27.6 mt -51.76 -38.01 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 0.781 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.887 ' HB3' HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -86.19 -35.79 19.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -48.45 81.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.5 t -49.28 -44.64 44.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.993 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.763 ' O ' HG22 ' A' ' 29' ' ' VAL . 1.5 t80 -64.2 -46.64 83.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.777 HD11 ' CD1' ' A' ' 22' ' ' LEU . 98.7 mt -53.51 -29.32 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -84.35 -21.87 30.76 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.621 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -83.23 -13.17 55.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.763 HG22 ' O ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -128.23 -89.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.706 ' O ' HG23 ' A' ' 26' ' ' ILE . . . 175.56 -112.75 0.41 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.5 mt -143.52 28.87 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.786 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.429 ' N ' ' HD3' ' A' ' 33' ' ' PRO . 90.7 m-85 -140.27 62.4 20.0 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -75.0 174.94 11.92 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -114.56 158.04 22.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -42.09 -29.81 0.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.41 ' HG2' ' N ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -71.2 -50.55 31.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.681 ' HB1' ' CZ ' ' A' ' 25' ' ' PHE . . . -60.36 -38.48 84.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.4 mt -67.06 -43.26 88.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.322 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.53 -41.11 76.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.568 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.1 m -66.01 -34.87 79.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 110.406 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.744 HD22 ' HB2' ' A' ' 22' ' ' LEU . 94.6 mt -73.98 -37.4 64.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.711 ' HA ' HD11 ' A' ' 52' ' ' ILE . 1.6 t -73.11 -16.72 61.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.998 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.3 -67.84 0.83 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -40.17 -44.02 1.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.887 HD11 ' HB3' ' A' ' 22' ' ' LEU . 11.0 mt -91.83 -29.26 16.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER 81.01 23.54 0.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.422 ' O ' ' HA ' ' A' ' 42' ' ' SER . 16.4 mt -97.77 162.33 22.73 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.744 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.4 Cg_endo -74.96 161.72 38.4 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -65.34 -53.34 45.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.257 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.548 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.9 p-80 -48.1 -43.68 31.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.63 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -60.89 -58.64 7.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.388 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.744 HD12 ' O ' ' A' ' 48' ' ' PRO . 3.8 mt -57.16 -44.29 83.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.61 -59.38 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -44.24 -65.04 0.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.68 ' HE2' HD21 ' A' ' 22' ' ' LEU . 1.9 t80 -42.69 -54.2 4.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.577 ' CZ ' HG12 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -47.81 -49.47 28.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.539 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.7 mt-10 -36.16 -83.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.841 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -29.01 -59.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.417 ' CD1' ' CZ ' ' A' ' 55' ' ' PHE . 2.9 tp -48.1 -63.6 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -50.35 -46.77 44.39 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.134 . . . . 0.0 111.035 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.436 HD12 ' HA ' ' A' ' 18' ' ' ALA . 19.4 mt -48.3 -55.83 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.754 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.719 HD12 ' CD1' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -69.85 -31.82 69.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -62.72 -40.87 98.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.2 t -64.06 -40.34 96.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.998 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.597 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -65.39 -30.59 71.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.987 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.719 ' CD1' HD12 ' A' ' 22' ' ' LEU . 2.7 mt -64.36 -40.4 88.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -80.05 -13.3 59.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 109.573 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -88.55 -50.24 6.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.597 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 1.5 m -94.59 -48.92 12.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.503 ' CA ' ' O ' ' A' ' 26' ' ' ILE . . . 139.09 -141.66 12.09 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.53 1.143 . . . . 0.0 111.063 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.3 mt -128.16 46.67 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.753 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.404 ' N ' ' HD3' ' A' ' 33' ' ' PRO . 87.9 m-85 -147.34 63.79 8.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.57 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.2 Cg_endo -74.98 174.22 13.15 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.491 1.785 . . . . 0.0 110.992 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.488 ' H ' ' HB3' ' A' ' 37' ' ' ALA . 0.8 OUTLIER -127.34 164.23 22.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -43.36 -26.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -77.8 -51.64 10.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.488 ' HB3' ' H ' ' A' ' 34' ' ' ASP . . . -57.87 -41.87 83.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.589 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.5 mt -63.55 -40.93 90.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -38.05 78.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.637 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.7 m -69.9 -35.46 74.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.425 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.68 HD22 ' HB2' ' A' ' 22' ' ' LEU . 85.8 mt -71.78 -37.98 70.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.694 ' HA ' HD11 ' A' ' 52' ' ' ILE . 1.7 t -72.9 -16.41 61.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.98 -67.87 0.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -41.06 -42.12 1.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.841 HD22 ' HA ' ' A' ' 18' ' ' ALA . 11.7 mt -93.17 -29.74 15.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 2.0 t70 82.02 23.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 42' ' ' SER . 15.8 mt -98.15 163.22 19.73 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.6 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.2 Cg_endo -75.04 158.96 41.75 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.589 ' HG2' HG22 ' A' ' 38' ' ' ILE . 0.6 OUTLIER -61.93 -54.41 42.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.563 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.4 p-80 -47.94 -49.25 30.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.616 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -52.61 -56.57 14.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.439 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.694 HD11 ' HA ' ' A' ' 42' ' ' SER . 3.7 mt -60.81 -47.57 92.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.59 HG22 HE21 ' A' ' 57' ' ' GLN . 41.4 mt -55.52 -66.46 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -40.3 -65.28 0.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.417 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 1.8 t80 -37.58 -61.64 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.57 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 1.2 m-85 -44.49 -53.55 6.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.59 HE21 HG22 ' A' ' 53' ' ' ILE . 45.9 mt-30 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.534 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.6 mt-10 -36.16 -83.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 110.37 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.787 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -28.39 -60.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 tp -47.94 -62.7 1.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -50.11 -49.11 37.79 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.459 HD12 ' HA ' ' A' ' 18' ' ' ALA . 18.2 mt -45.89 -60.31 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.545 0.791 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.697 ' HB2' HD22 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -63.92 -38.21 90.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.413 ' N ' ' HG ' ' A' ' 22' ' ' LEU . 4.4 tm0? -51.58 -36.02 43.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.1 t -65.76 -38.18 88.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.05 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.677 ' CE2' HG11 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -69.84 -30.68 68.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.496 HG23 ' O ' ' A' ' 30' ' ' GLY . 59.6 mt -66.79 -39.8 84.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -78.45 -13.47 59.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.627 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -90.96 -52.21 4.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.677 HG11 ' CE2' ' A' ' 25' ' ' PHE . 2.5 m -82.75 -47.77 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.496 ' O ' HG23 ' A' ' 26' ' ' ILE . . . 138.86 -87.71 0.21 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.518 1.136 . . . . 0.0 110.955 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.456 HD23 HG23 ' A' ' 26' ' ' ILE . 52.1 mt -151.55 -86.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 0.733 . . . . 0.0 109.36 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.445 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 7.5 p90 -37.52 97.84 0.14 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.972 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.557 ' HG3' ' CE2' ' A' ' 56' ' ' PHE . 18.1 Cg_endo -75.02 -164.77 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.448 1.762 . . . . 0.0 110.971 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.572 ' H ' ' HB3' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -144.26 148.49 34.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.339 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -43.03 -27.01 0.17 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -82.2 -43.33 17.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.261 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.572 ' HB3' ' H ' ' A' ' 34' ' ' ASP . . . -65.53 -42.22 92.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.578 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.6 mt -61.42 -41.01 88.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.256 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -43.07 94.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.645 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.0 m -65.16 -38.75 91.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.427 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.697 HD22 ' HB2' ' A' ' 22' ' ' LEU . 76.0 mt -69.47 -39.27 77.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.677 ' HA ' HD11 ' A' ' 52' ' ' ILE . 1.4 t -71.61 -16.95 62.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.96 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.61 -68.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -40.72 -44.45 2.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.787 HD22 ' HA ' ' A' ' 18' ' ' ALA . 11.4 mt -90.86 -29.31 17.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 0.9 OUTLIER 81.66 22.35 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.461 ' O ' ' CB ' ' A' ' 42' ' ' SER . 16.3 mt -95.6 162.98 22.55 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.664 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.3 Cg_endo -75.03 160.65 39.82 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.437 1.757 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.578 ' HG2' HG22 ' A' ' 38' ' ' ILE . 11.1 mtpt -64.82 -52.07 58.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.547 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.9 p-80 -49.6 -44.24 46.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.599 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -57.73 -58.74 7.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.407 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.677 HD11 ' HA ' ' A' ' 42' ' ' SER . 3.6 mt -57.5 -42.48 81.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 70.2 mt -59.95 -63.83 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.75 -59.09 1.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.519 ' CE2' HD21 ' A' ' 22' ' ' LEU . 1.7 t80 -47.04 -57.54 4.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.557 ' CE2' ' HG3' ' A' ' 33' ' ' PRO . 1.4 m-85 -48.19 -47.46 35.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.536 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.2 mt-10 -35.58 -82.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.678 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -29.3 -50.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.808 HD21 ' CZ ' ' A' ' 55' ' ' PHE . 1.0 OUTLIER -57.06 -73.42 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -42.89 -35.77 2.34 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.558 1.161 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 44.1 mt -59.26 -53.48 47.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 0.743 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.787 HD12 HD12 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -73.93 -36.8 64.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.406 ' N ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -57.24 -41.74 80.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.3 t -63.65 -50.25 70.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.995 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.618 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -52.95 -36.62 60.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 111.037 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.787 HD12 HD12 ' A' ' 22' ' ' LEU . 1.9 mt -61.24 -47.89 91.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -71.84 -9.64 58.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.608 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.41 -59.26 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.618 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -82.32 -49.96 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.17 . . . . 0.0 109.339 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.513 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . 143.38 -148.58 20.38 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.504 1.127 . . . . 0.0 111.04 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.508 HD21 HG21 ' A' ' 26' ' ' ILE . 5.3 mt -127.54 57.68 1.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 0.744 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.513 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 0.5 OUTLIER -163.76 63.4 1.18 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.571 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -74.99 174.21 13.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.503 1.791 . . . . 0.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -122.39 168.28 12.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -47.41 -23.89 0.69 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.405 ' HG2' ' N ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -79.76 -51.99 8.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.307 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.405 ' N ' ' HG2' ' A' ' 36' ' ' GLU . . . -58.13 -40.21 80.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.584 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.8 mt -63.96 -44.41 97.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -39.91 71.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.605 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.2 m -67.41 -34.68 77.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.403 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.663 HD22 ' HB2' ' A' ' 22' ' ' LEU . 94.6 mt -73.3 -35.8 66.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.71 ' HA ' HD11 ' A' ' 52' ' ' ILE . 2.0 t -75.08 -15.91 60.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.033 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.63 -67.05 0.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -41.45 -43.0 2.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.678 HD22 ' HA ' ' A' ' 18' ' ' ALA . 9.9 mt -92.6 -29.93 15.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER 82.17 21.52 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 47' ' ' LEU . 14.8 mt -96.5 163.18 21.1 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.573 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.2 Cg_endo -75.05 162.54 36.83 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.584 ' HG2' HG22 ' A' ' 38' ' ' ILE . 1.4 mtpm? -65.8 -52.13 53.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.573 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.7 p-80 -48.82 -52.68 22.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.556 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.3 m -52.91 -49.99 64.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.426 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.71 HD11 ' HA ' ' A' ' 42' ' ' SER . 8.2 mt -63.26 -53.18 49.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 95.5 mt -53.47 -59.19 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.13 -64.99 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.808 ' CZ ' HD21 ' A' ' 19' ' ' LEU . 7.0 t80 -44.33 -52.01 7.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.571 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 2.0 m-85 -55.6 -53.63 54.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 110.333 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.52 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.5 mt-10 -36.27 -83.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.733 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -28.91 -58.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.414 HD13 ' CE2' ' A' ' 55' ' ' PHE . 2.4 tp -51.7 -67.56 0.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -47.24 -43.22 18.68 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.447 1.092 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.7 mt -52.47 -61.83 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.526 0.78 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.831 ' HB2' HD22 ' A' ' 41' ' ' LEU . 0.4 OUTLIER -63.11 -36.47 83.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.06 -41.36 68.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.2 t -61.45 -39.53 91.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.672 ' CE2' HG11 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -68.94 -27.55 65.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.574 HG12 ' CE1' ' A' ' 56' ' ' PHE . 67.1 mt -69.46 -42.0 80.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.41 -12.69 60.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.612 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.9 -53.61 4.2 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.672 HG11 ' CE2' ' A' ' 25' ' ' PHE . 2.3 m -81.22 -45.4 20.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.548 ' O ' HG23 ' A' ' 26' ' ' ILE . . . 127.59 -114.19 1.85 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.9 mt -144.03 49.16 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 0.725 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -149.85 67.96 8.76 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.574 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.05 138.0 22.34 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.469 1.773 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -96.67 155.99 16.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -43.15 -26.81 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.345 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -78.36 -44.65 24.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . -62.89 -42.98 99.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.572 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.7 mt -62.69 -42.98 98.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -35.99 72.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.609 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.4 m -72.57 -34.01 67.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.441 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.831 HD22 ' HB2' ' A' ' 22' ' ' LEU . 92.5 mt -75.04 -34.56 61.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.702 ' HA ' HD11 ' A' ' 52' ' ' ILE . 2.6 t -75.72 -14.9 60.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.046 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -100.47 -67.28 0.86 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -40.56 -41.62 1.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.733 HD22 ' HA ' ' A' ' 18' ' ' ALA . 11.7 mt -95.1 -29.64 14.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 4.3 t0 82.3 21.31 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 47' ' ' LEU . 15.8 mt -94.49 162.64 25.29 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.558 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.4 Cg_endo -75.05 159.43 41.2 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.572 ' HG2' HG22 ' A' ' 38' ' ' ILE . 15.4 mtpt -63.95 -52.52 59.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.0 p-80 -48.97 -48.68 43.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.649 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -55.01 -52.89 61.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.403 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.702 HD11 ' HA ' ' A' ' 42' ' ' SER . 9.0 mt -62.98 -47.11 94.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 91.7 mt -57.38 -63.07 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -41.6 -69.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.47 ' CE2' HD21 ' A' ' 22' ' ' LEU . 0.9 OUTLIER -37.42 -56.45 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.574 ' CE1' HG12 ' A' ' 26' ' ' ILE . 0.6 OUTLIER -49.36 -56.63 8.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 17' ' ' GLU . 8.9 tp . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.556 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -36.09 -83.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 110.277 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.68 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -27.78 -47.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.768 ' O ' HD13 ' A' ' 22' ' ' LEU . 0.8 OUTLIER -61.96 -75.61 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -41.46 -26.72 0.24 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.454 HG21 HD21 ' A' ' 45' ' ' LEU . 19.9 mt -67.62 -64.2 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.767 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.843 HD22 ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -70.65 -18.83 62.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.622 ' N ' HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -74.05 -35.88 64.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.268 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.4 t -68.52 -34.52 76.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.023 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.826 ' CE2' HG11 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -73.21 -27.5 61.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.569 HG12 ' CE1' ' A' ' 56' ' ' PHE . 44.3 mt -68.72 -45.1 81.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -73.24 -13.46 61.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.637 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.23 -55.87 3.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.826 HG11 ' CE2' ' A' ' 25' ' ' PHE . 2.1 m -76.63 -47.55 28.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.461 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 133.85 -140.98 12.26 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.469 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 12.6 mt -129.28 56.75 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 0.782 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.469 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 77.8 m-85 -162.38 63.15 1.41 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.567 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.98 173.28 14.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.466 1.772 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' A' ' 36' ' ' GLU . 7.0 m-20 -124.56 163.24 22.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.085 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -46.65 -24.42 0.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -77.86 -50.37 12.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.42 -46.19 89.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.533 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.6 mt -57.97 -47.86 85.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -51.72 -44.03 63.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.608 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.0 m -63.06 -36.0 82.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.431 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.726 HD22 ' HB2' ' A' ' 22' ' ' LEU . 52.9 mt -72.67 -34.11 67.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.698 ' HA ' HD11 ' A' ' 52' ' ' ILE . 1.9 t -78.36 -14.5 59.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.013 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -99.28 -66.17 0.92 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -41.05 -41.46 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.68 HD22 ' HA ' ' A' ' 18' ' ' ALA . 10.2 mt -96.04 -26.17 15.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.464 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 6.2 t0 79.4 20.21 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.469 ' O ' ' CB ' ' A' ' 42' ' ' SER . 16.6 mt -93.43 162.91 26.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.707 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.6 Cg_endo -74.94 163.92 34.47 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.458 1.768 . . . . 0.0 111.041 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.533 ' HG2' HG22 ' A' ' 38' ' ' ILE . 3.0 mtpm? -68.19 -50.95 50.96 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.445 1.09 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.563 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.6 p-80 -49.49 -42.19 42.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.581 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.3 m -61.03 -58.6 7.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.372 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.707 HD12 ' O ' ' A' ' 48' ' ' PRO . 3.8 mt -57.38 -49.55 79.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.411 HG12 HD13 ' A' ' 38' ' ' ILE . 85.1 mt -58.02 -58.19 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.11 -55.77 3.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.687 ' CZ ' HD21 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -53.95 -46.73 71.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.569 ' CE1' HG12 ' A' ' 26' ' ' ILE . 1.2 m-85 -57.67 -46.03 84.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.994 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 20' ' ' GLY . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.554 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.1 mt-10 -36.69 -82.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.641 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -28.45 -49.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.765 ' O ' HD13 ' A' ' 22' ' ' LEU . 1.7 tp -64.05 -74.7 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 16' ' ' LEU . . . -40.45 -27.74 0.17 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.54 1.15 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.42 ' N ' ' C ' ' A' ' 19' ' ' LEU . 48.5 mt -66.62 -65.94 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.834 HD22 ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -68.97 -18.57 64.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.173 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.624 ' N ' HD13 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -73.76 -35.01 64.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.105 . . . . 0.0 110.292 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.2 t -69.73 -32.22 70.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 110.067 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.693 ' CE2' HG11 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -75.75 -27.36 58.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.595 HD11 ' CZ ' ' A' ' 56' ' ' PHE . 16.9 mt -67.94 -40.49 83.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -78.56 -15.01 59.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.167 . . . . 0.0 109.591 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -89.02 -48.36 7.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.693 HG11 ' CE2' ' A' ' 25' ' ' PHE . 2.4 m -86.18 -49.61 15.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.488 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 135.53 -139.19 10.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.409 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 16.5 mt -129.46 55.09 1.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.423 ' N ' ' HD3' ' A' ' 33' ' ' PRO . 84.9 m-85 -160.04 62.57 1.87 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.558 1.161 . . . . 0.0 110.972 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.565 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.2 Cg_endo -75.01 176.11 10.35 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.507 1.793 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.78 164.53 21.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -47.52 -23.84 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.9 -52.34 9.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.97 -44.52 87.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.56 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.8 mt -60.17 -44.33 95.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.22 -41.3 71.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.616 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.3 m -66.18 -35.45 80.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.381 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.627 HD22 ' HB2' ' A' ' 22' ' ' LEU . 31.4 mt -72.89 -34.32 66.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.667 ' HA ' HD11 ' A' ' 52' ' ' ILE . 1.3 t -77.63 -17.22 57.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.63 -65.91 0.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -42.12 -40.85 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.641 HD22 ' HA ' ' A' ' 18' ' ' ALA . 8.0 mt -95.42 -26.86 15.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.353 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.479 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 7.0 t0 80.48 19.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.504 ' O ' ' CB ' ' A' ' 42' ' ' SER . 14.8 mt -93.08 163.63 24.57 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.565 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.4 Cg_endo -74.95 161.39 38.96 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.509 1.794 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.56 ' HG2' HG22 ' A' ' 38' ' ' ILE . 12.3 mttt -65.01 -52.18 57.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.8 p-80 -49.21 -47.62 46.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.605 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -53.53 -53.67 48.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.41 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.667 HD11 ' HA ' ' A' ' 42' ' ' SER . 3.8 mt -64.37 -46.31 93.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 58.9 mt -56.37 -64.69 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.79 -60.3 1.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.593 ' HE2' HD21 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -45.11 -53.05 8.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 111.03 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.595 ' CZ ' HD11 ' A' ' 26' ' ' ILE . 1.2 m-85 -54.2 -52.52 60.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 180.0 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 19' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.509 ' O ' ' C ' ' A' ' 18' ' ' ALA . 10.4 tt0 -32.25 -81.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.757 ' HB1' HD13 ' A' ' 45' ' ' LEU . . . -31.74 -49.52 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.678 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 1.1 tp -41.76 -74.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 23' ' ' GLN . . . -43.98 -54.36 6.08 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.474 1.109 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' GLY . 41.2 mt -40.51 -47.13 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.5 0.765 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.758 ' HB3' HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -80.94 -33.76 33.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 20' ' ' GLY . 0.2 OUTLIER -59.74 -40.52 88.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.346 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.0 t -59.42 -41.14 88.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -67.56 -29.6 69.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 110.974 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.565 HG12 ' CE1' ' A' ' 56' ' ' PHE . 86.3 mt -68.68 -42.0 82.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.21 -12.15 60.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.628 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.89 -52.53 4.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.58 HG11 ' CE2' ' A' ' 25' ' ' PHE . 2.9 m -81.44 -48.45 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.525 ' O ' HG23 ' A' ' 26' ' ' ILE . . . 132.29 -107.53 0.72 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 39.6 mt -147.75 40.59 1.0 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -142.39 72.58 21.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.568 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.01 133.12 16.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 111.025 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -94.92 153.66 17.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -42.29 -27.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.26 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -76.74 -46.54 24.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.566 ' HB1' ' CE2' ' A' ' 25' ' ' PHE . . . -62.5 -42.83 99.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.562 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.9 mt -61.87 -41.09 89.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -36.79 76.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.627 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.5 m -72.45 -33.91 67.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.387 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.464 HD22 ' HB2' ' A' ' 22' ' ' LEU . 85.9 mt -74.47 -36.34 63.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.708 ' HA ' HD11 ' A' ' 52' ' ' ILE . 1.6 t -73.85 -16.8 61.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.28 -67.36 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -41.04 -44.87 2.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.256 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.758 HD11 ' HB3' ' A' ' 22' ' ' LEU . 12.5 mt -90.78 -29.64 17.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 3.8 t0 82.05 24.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.45 ' O ' ' CB ' ' A' ' 42' ' ' SER . 15.0 mt -97.7 162.85 20.98 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.64 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.3 Cg_endo -75.07 159.71 40.78 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.466 1.771 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.562 ' HG2' HG22 ' A' ' 38' ' ' ILE . 8.8 mtpt -63.68 -52.88 58.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.557 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.2 p-80 -49.02 -47.55 44.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.635 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -54.99 -60.32 3.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 110.403 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.708 HD11 ' HA ' ' A' ' 42' ' ' SER . 4.6 mt -53.19 -48.05 55.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.559 HG22 HE21 ' A' ' 57' ' ' GLN . 87.9 mt -57.86 -58.45 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -43.46 -65.49 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.678 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 2.7 t80 -40.96 -52.87 3.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.568 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 1.1 m-85 -54.39 -53.94 47.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.937 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.559 HE21 HG22 ' A' ' 53' ' ' ILE . 67.0 mt-30 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 110.281 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.535 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.9 mt-10 -35.18 -82.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.647 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -29.09 -45.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.74 ' O ' HD13 ' A' ' 22' ' ' LEU . 0.9 OUTLIER -60.7 -77.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -40.91 -27.11 0.17 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.447 1.092 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 19' ' ' LEU . 36.9 mt -67.81 -64.35 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.859 HD22 ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -71.08 -18.47 62.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.63 ' N ' HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -74.86 -38.13 62.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.7 t -66.14 -33.36 75.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.007 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.776 ' CE2' HG11 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -74.29 -27.56 60.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 111.023 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.531 HD11 ' CZ ' ' A' ' 56' ' ' PHE . 31.2 mt -67.47 -42.1 86.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -77.38 -14.54 59.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.606 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.86 -50.17 6.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.776 HG11 ' CE2' ' A' ' 25' ' ' PHE . 2.2 m -84.02 -48.81 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.478 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 135.51 -143.73 15.39 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.488 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 12.0 mt -126.51 56.07 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.488 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 78.7 m-85 -162.78 63.15 1.33 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.569 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.98 173.05 15.18 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.521 1.8 . . . . 0.0 110.953 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.404 ' C ' ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -123.39 162.18 23.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -45.81 -25.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.33 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -76.21 -49.35 17.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.36 -44.37 97.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.596 HG22 ' HG2' ' A' ' 49' ' ' LYS . 3.0 mt -59.64 -44.61 93.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.03 -42.9 73.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.641 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.8 m -64.54 -35.65 81.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.374 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.683 HD22 ' HB2' ' A' ' 22' ' ' LEU . 35.3 mt -72.26 -35.78 68.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.686 ' HA ' HD11 ' A' ' 52' ' ' ILE . 1.5 t -75.46 -17.0 60.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.25 -66.56 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -42.14 -40.81 2.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.67 HD11 ' HB3' ' A' ' 22' ' ' LEU . 9.2 mt -94.68 -28.75 15.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 3.2 t0 81.79 20.15 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.501 ' O ' ' CB ' ' A' ' 42' ' ' SER . 13.3 mt -95.4 163.47 21.5 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.65 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.3 Cg_endo -74.97 165.77 30.64 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.768 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.596 ' HG2' HG22 ' A' ' 38' ' ' ILE . 13.8 mtpt -69.77 -50.03 47.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.569 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.3 p-80 -49.83 -47.21 51.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.601 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.42 HG21 HD22 ' A' ' 47' ' ' LEU . 2.1 m -57.18 -54.23 49.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.365 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.686 HD11 ' HA ' ' A' ' 42' ' ' SER . 5.2 mt -60.68 -47.72 91.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 56' ' ' PHE . 79.1 mt -57.54 -60.45 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -42.14 -59.6 1.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.652 ' CZ ' HD21 ' A' ' 19' ' ' LEU . 1.4 t80 -52.16 -33.98 42.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.569 ' CE1' ' HG3' ' A' ' 33' ' ' PRO . 0.6 OUTLIER -76.23 -38.54 56.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.276 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.42 129.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 0.735 . . . . 0.0 110.011 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.01 160.7 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.35 174.46 38.76 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.6 p -175.36 135.04 0.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 0.728 . . . . 0.0 110.003 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -78.47 158.36 28.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.991 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.19 94.39 0.12 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.553 1.158 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 177.51 8.49 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.486 1.782 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 60.66 154.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.08 . . . . 0.0 110.276 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.3 p -158.87 131.07 6.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 109.966 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.47 111.37 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.2 t -144.03 163.33 33.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.421 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -148.16 87.87 1.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.65 HG21 ' HB2' ' A' ' 19' ' ' LEU . 14.1 mt -104.23 121.25 55.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.615 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 4.9 m -40.4 -47.28 2.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.973 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.615 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 154.43 -66.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.539 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -36.12 -83.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.711 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -28.65 -59.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.65 ' HB2' HG21 ' A' ' 14' ' ' ILE . 2.4 tp -48.61 -61.82 1.83 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -46.56 -51.12 12.91 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.594 1.184 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' ' 18' ' ' ALA . 37.2 mt -45.82 -75.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.857 ' HB3' HD11 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -45.9 -36.51 5.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -55.47 -42.7 74.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.2 t -61.24 -42.32 98.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.998 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.599 ' CE2' HG11 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -65.68 -29.4 69.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.582 HD11 ' CD1' ' A' ' 22' ' ' LEU . 71.4 mt -68.55 -44.64 82.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -10.59 59.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.598 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -93.47 -54.99 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.599 HG11 ' CE2' ' A' ' 25' ' ' PHE . 3.0 m -78.87 -48.77 21.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.518 ' O ' HG23 ' A' ' 26' ' ' ILE . . . 133.02 -113.51 1.25 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.489 HD11 HG21 ' A' ' 63' ' ' VAL . 46.5 mt -144.76 46.02 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -148.18 70.26 10.88 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 111.036 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.569 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.96 139.8 24.83 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.516 1.798 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.415 ' C ' ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -97.59 156.8 16.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -43.54 -26.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -78.63 -46.85 18.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.468 ' HB1' ' CZ ' ' A' ' 25' ' ' PHE . . . -60.19 -43.59 95.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.579 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.7 mt -60.65 -43.05 94.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -41.06 81.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.58 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.4 m -67.63 -37.0 81.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.403 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.843 HD22 ' HB2' ' A' ' 22' ' ' LEU . 97.0 mt -70.41 -37.85 74.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.693 ' HA ' HD11 ' A' ' 52' ' ' ILE . 2.2 t -73.74 -15.21 61.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.99 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.77 -67.56 0.84 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -41.59 -44.4 3.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.284 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.857 HD11 ' HB3' ' A' ' 22' ' ' LEU . 10.9 mt -91.1 -28.96 17.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 0.5 OUTLIER 81.14 22.3 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.454 ' O ' ' CB ' ' A' ' 42' ' ' SER . 14.0 mt -95.75 163.29 21.6 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.706 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.3 Cg_endo -75.02 160.07 40.55 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.579 ' HG2' HG22 ' A' ' 38' ' ' ILE . 12.6 mtpt -63.64 -53.08 57.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.556 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.1 p-80 -48.88 -47.25 43.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.606 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -54.88 -60.73 2.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.373 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.706 HD12 ' O ' ' A' ' 48' ' ' PRO . 3.9 mt -53.97 -48.44 63.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 96.3 mt -56.46 -60.66 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.85 -68.89 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.486 ' CE2' HD21 ' A' ' 22' ' ' LEU . 0.8 OUTLIER -37.33 -55.55 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.569 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 0.8 OUTLIER -49.98 -53.74 24.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -40.86 -41.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.269 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -58.47 -48.87 79.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 56' ' ' PHE . 59.4 mm-40 -55.24 -45.82 76.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -61.95 -56.73 16.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -45.45 -44.44 12.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -63.48 -63.54 1.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.634 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.489 HG21 HD11 ' A' ' 31' ' ' LEU . 71.5 t -49.26 122.4 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.93 -61.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 -57.42 -61.33 2.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.549 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.54 126.11 30.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.985 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -120.12 -151.85 8.84 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.456 1.097 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 175.91 10.59 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.792 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.1 m 56.33 101.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.102 . . . . 0.0 110.052 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.1 t -48.99 144.34 4.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.974 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.447 1.092 . . . . 0.0 111.028 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.1 -58.5 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 110.004 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 62.45 96.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.981 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.65 150.85 19.47 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 0.0 110.964 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.0 p -82.46 151.84 26.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 110.037 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.94 159.3 44.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 0.0 110.012 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.59 158.68 45.49 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.447 1.092 . . . . 0.0 111.031 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -50.21 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.477 1.777 . . . . 0.0 111.009 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 46.7 mtm180 51.07 97.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.2 m -87.2 84.68 7.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -131.76 112.96 12.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.313 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.0 t -157.9 148.37 20.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.382 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.49 69.49 1.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.687 HG21 ' HB2' ' A' ' 19' ' ' LEU . 20.3 mt -119.11 118.87 59.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.602 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 8.8 m -40.0 -48.34 2.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.98 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.602 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 155.07 -65.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.546 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.9 OUTLIER -36.25 -83.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.339 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.783 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -28.07 -63.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.687 ' HB2' HG21 ' A' ' 14' ' ' ILE . 2.4 tp -43.71 -62.59 1.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -55.03 -42.54 81.36 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.562 1.164 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.7 mt -53.96 -46.74 65.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 0.783 . . . . 0.0 109.353 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.779 ' HB3' HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -75.05 -35.39 61.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -51.03 71.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.239 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.1 t -51.02 -40.69 58.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.586 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -67.29 -30.41 70.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 110.965 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.501 HG12 ' CE1' ' A' ' 56' ' ' PHE . 37.9 mt -68.42 -45.12 82.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.34 -9.27 58.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.552 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.03 -56.51 2.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.35 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.571 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 2.0 m -82.09 -49.4 17.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.489 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 136.39 -148.61 19.78 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.581 HD13 HG11 ' A' ' 63' ' ' VAL . 4.2 mt -121.86 69.72 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.473 ' CD2' ' C ' ' A' ' 31' ' ' LEU . 1.4 p90 179.13 63.39 0.11 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.561 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.2 Cg_endo -75.06 172.44 16.35 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.527 1.803 . . . . 0.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.02 164.61 13.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -47.42 -24.06 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.4 -50.35 11.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.27 -39.48 83.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.615 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.9 mt -65.42 -41.31 90.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -38.36 77.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.609 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.6 m -69.25 -36.37 77.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.436 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.741 HD22 ' HB2' ' A' ' 22' ' ' LEU . 96.2 mt -70.6 -39.21 73.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.692 ' HA ' HD11 ' A' ' 52' ' ' ILE . 2.0 t -71.58 -16.08 62.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.971 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.29 -68.6 0.79 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -40.17 -42.62 1.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.277 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.783 HD22 ' HA ' ' A' ' 18' ' ' ALA . 11.1 mt -92.96 -29.23 15.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER 81.25 23.01 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.46 ' O ' ' CB ' ' A' ' 42' ' ' SER . 15.5 mt -97.41 162.8 21.35 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.794 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.2 Cg_endo -75.0 159.8 40.94 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.615 ' HG2' HG22 ' A' ' 38' ' ' ILE . 13.1 mtpt -64.02 -52.57 58.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.548 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.0 p-80 -49.23 -43.4 42.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.596 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -59.96 -59.3 5.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.408 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.794 HD12 ' O ' ' A' ' 48' ' ' PRO . 3.3 mt -57.32 -48.68 82.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.402 HG12 ' CD1' ' A' ' 38' ' ' ILE . 82.4 mt -56.59 -60.52 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -42.51 -67.39 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.551 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 1.1 t80 -38.28 -58.27 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.561 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 1.1 m-85 -47.25 -53.49 13.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -46.74 -32.1 3.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -69.87 -41.46 74.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 56' ' ' PHE . 6.0 mm100 -59.62 -50.05 75.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -52.33 -58.38 6.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -46.31 -44.43 16.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 20.7 m-70 -59.11 -74.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.624 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.581 HG11 HD13 ' A' ' 31' ' ' LEU . 8.8 p -51.92 147.89 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.25 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.14 164.56 27.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 56.44 89.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.651 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.5 p -116.2 163.93 15.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.424 1.077 . . . . 0.0 109.973 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -58.47 -80.56 0.08 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 102.73 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.519 1.799 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.0 m -61.21 123.19 17.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.996 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.74 122.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.963 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.0 t -151.98 -60.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.786 . . . . 0.0 109.988 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.1 m 65.0 161.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.035 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.15 120.61 4.04 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.2 79.97 1.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 110.044 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.5 p -134.03 138.62 45.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.967 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.62 97.9 0.11 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 125.86 9.59 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.553 1.817 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.85 160.54 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.1 m -118.99 155.75 30.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -64.42 0.9 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.3 p -126.06 141.26 52.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.416 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.44 131.69 14.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.66 HG21 ' HB2' ' A' ' 19' ' ' LEU . 24.4 mt 61.65 119.48 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.614 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 4.1 m -39.46 -47.94 1.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.614 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 154.71 -66.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.536 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -36.11 -83.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.757 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -28.79 -60.92 0.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.66 ' HB2' HG21 ' A' ' 14' ' ' ILE . 2.8 tp -46.74 -61.85 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -51.54 -43.51 52.84 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 42.5 mt -54.75 -58.55 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.84 ' HB3' HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -62.09 -37.98 87.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.414 ' N ' ' HG ' ' A' ' 22' ' ' LEU . 0.8 OUTLIER -53.61 -42.77 68.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.8 t -60.12 -42.08 94.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.581 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -65.64 -30.68 71.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.578 HG23 ' O ' ' A' ' 30' ' ' GLY . 75.6 mt -68.28 -41.16 83.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -11.7 59.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.578 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -91.9 -54.1 4.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.495 HG21 ' CE1' ' A' ' 25' ' ' PHE . 3.8 m -80.75 -45.43 21.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.578 ' O ' HG23 ' A' ' 26' ' ' ILE . . . 130.63 -109.16 0.89 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.488 1.117 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.5 mt -146.84 43.72 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -146.6 74.62 12.47 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.951 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.564 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.97 133.56 16.78 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.467 1.772 . . . . 0.0 110.999 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.5 OUTLIER -89.41 151.31 22.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -40.61 -28.52 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -78.2 -48.52 15.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.499 ' HB1' ' CZ ' ' A' ' 25' ' ' PHE . . . -56.31 -43.15 78.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.535 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.9 mt -59.46 -46.0 93.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.29 -40.99 75.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.579 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.6 m -66.79 -35.91 81.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.393 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.602 HD22 ' HB2' ' A' ' 22' ' ' LEU . 91.2 mt -72.55 -37.3 68.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.677 ' HA ' HD11 ' A' ' 52' ' ' ILE . 2.0 t -73.57 -16.27 61.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.044 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.59 -67.45 0.85 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.112 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -41.83 -44.01 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.84 HD11 ' HB3' ' A' ' 22' ' ' LEU . 11.3 mt -91.42 -28.86 17.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 3.2 t0 81.23 21.17 0.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.462 ' HA ' HD23 ' A' ' 47' ' ' LEU . 15.2 mt -94.05 162.84 25.51 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.242 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.595 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.4 Cg_endo -75.01 159.5 41.26 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.497 1.788 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.535 ' HG2' HG22 ' A' ' 38' ' ' ILE . 8.6 mtpt -64.48 -50.84 65.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.56 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.0 p-80 -50.63 -45.79 57.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.605 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -56.81 -60.05 4.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.435 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.677 HD11 ' HA ' ' A' ' 42' ' ' SER . 4.4 mt -53.53 -46.17 59.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.699 HG22 ' NE2' ' A' ' 57' ' ' GLN . 95.1 mt -59.95 -65.07 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' ILE . 3.4 mptm? -40.17 -59.69 1.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.528 ' CE2' HD21 ' A' ' 22' ' ' LEU . 3.4 t80 -47.07 -55.15 8.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.566 ' CE1' HG12 ' A' ' 26' ' ' ILE . 0.8 OUTLIER -53.39 -51.77 61.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.699 ' NE2' HG22 ' A' ' 53' ' ' ILE . 62.6 mt-30 -42.0 -48.32 4.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.412 ' OD1' ' CD2' ' A' ' 62' ' ' HIS . 44.8 t30 -52.24 -53.99 36.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -46.0 -51.94 12.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.58 -51.07 61.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -62.83 -37.22 85.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.962 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.559 ' CE1' ' HG2' ' A' ' 68' ' ' PRO . 39.1 m-70 -93.64 78.21 4.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.585 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.7 p -146.1 151.66 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.05 159.21 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.402 ' CD2' ' H ' ' A' ' 66' ' ' SER . 5.1 p-80 -50.59 -56.11 13.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.632 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.402 ' H ' ' CD2' ' A' ' 65' ' ' HIS . 34.5 p -40.02 -59.94 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 109.981 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -45.05 156.46 0.29 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.559 ' HG2' ' CE1' ' A' ' 62' ' ' HIS . 18.4 Cg_endo -75.02 150.94 38.81 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.478 1.778 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 77.3 p -87.38 130.11 34.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.37 116.4 24.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.424 1.078 . . . . 0.0 109.972 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 179.968 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.16 161.25 0.59 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.51 0.771 . . . . 0.0 109.99 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -177.53 166.0 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.019 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.87 -89.22 0.17 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.489 1.118 . . . . 0.0 110.963 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t 74.82 -58.42 0.58 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 0.784 . . . . 0.0 110.022 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.1 164.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 110.028 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.43 172.93 26.87 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 70.32 5.27 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.477 1.777 . . . . 0.0 111.046 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.14 149.42 31.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.326 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.5 t -72.61 113.96 10.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.984 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -130.98 171.15 13.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.295 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 t -62.63 -19.48 63.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.377 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.63 132.41 37.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.898 HD13 HD23 ' A' ' 19' ' ' LEU . 2.9 mp -67.02 123.73 20.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.576 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 3.1 m -39.06 -46.29 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.998 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.576 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 158.14 -71.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.537 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -35.32 -83.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.261 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.602 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -28.99 -51.96 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.898 HD23 HD13 ' A' ' 14' ' ' ILE . 1.0 OUTLIER -52.42 -71.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -42.51 -47.66 5.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 18' ' ' ALA . 48.3 mt -46.2 -47.31 6.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.559 0.799 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.872 ' HB2' HD22 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -81.43 -39.87 24.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.423 ' N ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -54.72 -33.26 60.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.4 t -69.89 -52.45 24.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.998 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.667 ' CE2' HG11 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -55.82 -30.47 61.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 111.034 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.617 HD11 ' CD1' ' A' ' 22' ' ' LEU . 64.8 mt -66.32 -46.81 86.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -72.72 -10.57 59.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.605 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.75 -55.5 3.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.667 HG11 ' CE2' ' A' ' 25' ' ' PHE . 2.9 m -79.54 -49.38 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.548 ' O ' HG23 ' A' ' 26' ' ' ILE . . . 136.51 -129.77 4.98 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.547 1.154 . . . . 0.0 111.018 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.0 mt -136.78 48.52 2.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.756 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.415 ' N ' ' HD3' ' A' ' 33' ' ' PRO . 89.2 m-85 -153.03 63.09 4.57 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.567 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.1 Cg_endo -75.07 174.63 12.47 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.473 1.775 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.45 ' H ' ' HB3' ' A' ' 37' ' ' ALA . 22.1 m-20 -127.82 158.38 37.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -40.91 -28.49 0.08 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.352 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -74.89 -50.18 17.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.309 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.45 ' HB3' ' H ' ' A' ' 34' ' ' ASP . . . -59.59 -42.1 91.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.577 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.9 mt -63.41 -45.84 96.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -46.54 69.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.604 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.7 m -60.78 -35.4 76.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.872 HD22 ' HB2' ' A' ' 22' ' ' LEU . 65.3 mt -72.65 -35.92 67.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.71 ' HA ' HD11 ' A' ' 52' ' ' ILE . 3.2 t -75.47 -15.01 60.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.034 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -99.42 -67.18 0.86 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -41.32 -43.42 2.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.602 HD22 ' HA ' ' A' ' 18' ' ' ALA . 10.4 mt -92.24 -30.02 16.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 14.8 t0 82.06 22.17 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.427 ' O ' ' HA ' ' A' ' 42' ' ' SER . 15.6 mt -96.72 163.41 20.36 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.618 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.3 Cg_endo -75.01 161.15 39.19 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.567 1.825 . . . . 0.0 111.038 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.577 ' HG2' HG22 ' A' ' 38' ' ' ILE . 10.3 mtpt -65.44 -51.11 62.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.8 p-80 -50.14 -47.91 53.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.627 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.3 m -56.79 -55.49 33.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.412 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.71 HD11 ' HA ' ' A' ' 42' ' ' SER . 4.9 mt -59.22 -46.33 92.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.3 mt -58.86 -58.3 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.45 -63.97 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.782 ' CE2' HD21 ' A' ' 19' ' ' LEU . 5.3 t80 -41.84 -61.41 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.573 ' CE1' HG12 ' A' ' 26' ' ' ILE . 1.8 m-85 -43.08 -54.91 4.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -46.24 -31.86 2.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.278 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -65.87 -41.79 91.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 56' ' ' PHE . 6.2 mm100 -60.81 -51.44 69.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 61' ' ' TYR . 80.5 mtt180 -51.25 -55.3 18.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.258 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 60' ' ' ARG . 0.8 OUTLIER -37.73 -56.83 1.04 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -105.48 99.08 8.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.571 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.5 p -144.71 143.34 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -136.02 103.56 5.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -170.34 63.16 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.125 . . . . 0.0 109.547 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.3 t -77.52 126.16 30.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.068 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -95.79 -123.85 4.31 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.549 1.155 . . . . 0.0 110.946 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 58.37 4.9 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.539 1.81 . . . . 0.0 110.972 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.0 t 65.16 92.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.029 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 85.8 p -70.85 133.11 46.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.04 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m 50.65 90.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 0.736 . . . . 0.0 110.013 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.9 p -118.76 159.21 24.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.978 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.13 154.92 9.88 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -170.9 158.68 5.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 0.766 . . . . 0.0 109.937 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.99 160.13 39.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.017 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.17 172.53 34.48 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.424 1.078 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 63.98 5.98 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.79 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 43.53 85.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.39 104.38 9.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.87 138.27 57.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.357 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 t -99.5 151.77 20.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.421 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.91 124.59 3.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.641 HG21 ' HB2' ' A' ' 19' ' ' LEU . 21.0 mt -125.66 119.9 56.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.61 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 4.1 m -40.28 -48.17 2.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.026 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.61 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 155.49 -65.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.532 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.9 OUTLIER -36.73 -83.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.761 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -29.21 -59.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.641 ' HB2' HG21 ' A' ' 14' ' ' ILE . 3.1 tp -47.19 -63.11 1.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -50.53 -44.33 46.21 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.4 mt -53.21 -56.39 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.872 ' HB2' HD22 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -66.09 -37.27 85.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -43.27 71.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.3 t -59.13 -37.91 78.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -71.07 -28.3 64.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 111.013 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.493 HG23 ' O ' ' A' ' 30' ' ' GLY . 12.2 mt -67.63 -40.45 84.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.08 -10.92 59.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.629 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.79 -51.3 5.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.574 HG11 ' CE2' ' A' ' 25' ' ' PHE . 1.5 m -88.26 -49.31 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.493 ' O ' HG23 ' A' ' 26' ' ' ILE . . . 134.61 -116.29 1.58 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.454 1.096 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.2 mt -141.84 36.06 1.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 0.776 . . . . 0.0 109.259 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.401 ' N ' ' HD3' ' A' ' 33' ' ' PRO . 52.1 m-85 -133.12 63.96 68.45 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.555 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.98 129.01 11.95 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.495 1.787 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -85.13 154.41 22.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.251 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -42.05 -27.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -77.62 -47.5 19.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . -58.15 -40.07 80.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.591 HG22 ' HG2' ' A' ' 49' ' ' LYS . 3.4 mt -63.94 -45.33 97.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.1 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -44.09 71.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.626 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.0 m -63.36 -37.2 86.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.379 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.872 HD22 ' HB2' ' A' ' 22' ' ' LEU . 85.2 mt -70.29 -39.46 74.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.692 ' HA ' HD11 ' A' ' 52' ' ' ILE . 1.3 t -71.5 -17.64 62.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.981 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.74 -68.1 0.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -41.27 -43.86 2.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.41 1.069 . . . . 0.0 110.32 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.794 HD11 ' HB3' ' A' ' 22' ' ' LEU . 11.1 mt -90.61 -30.18 17.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 8.7 t0 82.09 23.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.471 ' O ' ' CB ' ' A' ' 42' ' ' SER . 15.0 mt -98.64 163.0 19.83 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.807 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.2 Cg_endo -75.07 159.2 41.37 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.789 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.591 ' HG2' HG22 ' A' ' 38' ' ' ILE . 5.1 mtpm? -62.98 -53.96 45.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.4 p-80 -48.1 -44.24 31.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.596 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -58.63 -60.15 4.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.422 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.807 HD12 ' O ' ' A' ' 48' ' ' PRO . 3.2 mt -56.52 -39.6 63.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 56' ' ' PHE . 96.7 mt -64.16 -57.4 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -44.81 -43.92 9.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.567 ' CE2' HD11 ' A' ' 22' ' ' LEU . 1.9 t80 -62.58 -33.88 75.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.555 ' CE1' ' HG3' ' A' ' 33' ' ' PRO . 4.4 m-85 -84.23 -58.39 2.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.495 ' CG ' ' N ' ' A' ' 58' ' ' ASN . 2.0 pt20 -40.12 -46.61 2.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.495 ' N ' ' CG ' ' A' ' 57' ' ' GLN . 22.7 t30 -67.77 -50.25 58.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -39.92 -50.62 2.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 44.1 mtp180 -45.59 -51.12 12.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -65.12 -29.27 70.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -101.74 78.26 1.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.582 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.7 p -147.88 146.94 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.323 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -105.15 -71.53 0.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.72 106.68 18.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.589 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.2 99.31 3.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.015 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 51.39 -146.71 11.11 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 71.94 4.81 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 0.0 111.005 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.9 t 71.13 -67.02 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.038 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 52.78 94.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.014 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.451 1.095 . . . . 0.0 110.972 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.03 -59.01 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 0.799 . . . . 0.0 110.037 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.1 p -138.64 169.15 18.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.986 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.64 -137.38 4.81 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.34 -66.72 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.3 m 55.17 105.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.997 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.19 152.21 24.31 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.54 1.15 . . . . 0.0 110.953 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 126.05 9.68 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.513 1.796 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -172.85 -65.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 m -133.82 172.34 12.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.018 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.5 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -85.15 70.24 10.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.322 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -90.96 156.07 18.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.4 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -61.86 154.87 24.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.653 HG21 ' HB2' ' A' ' 19' ' ' LEU . 20.6 mt -74.78 120.04 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.615 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 5.0 m -38.99 -47.99 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.007 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.615 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 154.69 -66.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.535 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.3 mt-10 -36.08 -83.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.69 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -28.71 -60.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.653 ' HB2' HG21 ' A' ' 14' ' ' ILE . 2.4 tp -47.95 -61.65 1.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -53.46 -38.79 58.54 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 36.6 mt -59.24 -51.5 71.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.839 ' HB2' HD22 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -70.07 -36.15 74.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.44 -40.99 79.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.349 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.9 t -60.72 -40.67 93.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.016 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.653 ' CE2' HG11 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -68.05 -28.37 67.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.567 HG12 ' CE1' ' A' ' 56' ' ' PHE . 78.6 mt -69.57 -42.49 80.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.15 -12.51 60.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.584 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -92.42 -54.4 3.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.653 HG11 ' CE2' ' A' ' 25' ' ' PHE . 2.4 m -78.94 -47.78 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.565 ' O ' HG23 ' A' ' 26' ' ' ILE . . . 132.78 -112.33 1.12 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.441 1.088 . . . . 0.0 111.011 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 49.3 mt -146.48 42.14 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.779 . . . . 0.0 109.272 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -144.83 71.67 15.13 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.57 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -74.93 138.7 23.56 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.788 . . . . 0.0 111.045 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -96.93 155.12 16.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -43.02 -27.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -78.8 -45.67 20.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.467 ' HB1' ' CZ ' ' A' ' 25' ' ' PHE . . . -61.01 -42.45 98.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.541 HG22 ' HG2' ' A' ' 49' ' ' LYS . 3.0 mt -62.18 -44.51 99.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.86 -41.68 74.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.596 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.3 m -66.73 -36.11 81.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.39 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.839 HD22 ' HB2' ' A' ' 22' ' ' LEU . 75.4 mt -71.58 -36.81 71.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.709 ' HA ' HD11 ' A' ' 52' ' ' ILE . 2.6 t -74.61 -15.13 60.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.974 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.99 -67.45 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -40.9 -46.35 2.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.318 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.695 HD11 ' HB3' ' A' ' 22' ' ' LEU . 11.7 mt -89.13 -29.34 19.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 5.3 t0 81.61 22.56 0.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' A' ' 42' ' ' SER . 14.8 mt -96.26 163.59 20.41 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.784 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.2 Cg_endo -74.98 161.12 39.35 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.428 1.752 . . . . 0.0 111.012 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.541 ' HG2' HG22 ' A' ' 38' ' ' ILE . 12.8 mtpt -65.51 -50.62 64.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.561 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.8 p-80 -50.72 -47.02 59.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.609 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -56.35 -60.0 4.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.411 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.784 HD12 ' O ' ' A' ' 48' ' ' PRO . 3.9 mt -54.42 -47.2 70.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.33 -59.21 3.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.18 -64.76 0.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.559 ' CE2' ' CD1' ' A' ' 19' ' ' LEU . 1.7 t80 -40.53 -56.58 2.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.57 ' CE1' ' HG3' ' A' ' 33' ' ' PRO . 2.4 m-85 -52.74 -56.23 17.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -39.54 -48.84 2.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.43 ' O ' ' CB ' ' A' ' 61' ' ' TYR . 56.0 t30 -60.31 -46.99 87.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -43.31 -60.78 1.56 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.22 -47.07 17.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.337 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.43 ' CB ' ' O ' ' A' ' 58' ' ' ASN . 3.8 t80 -44.91 -31.01 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.965 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -98.85 52.55 0.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.587 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 69.7 t -136.34 115.45 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.63 100.73 13.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.4 -61.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.564 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.16 100.54 10.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.971 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 138.96 90.62 0.21 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 87.58 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.86 142.97 3.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.962 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.9 p -165.64 -58.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.996 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 -179.964 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 p -175.6 -53.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 0.732 . . . . 0.0 110.017 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.79 164.53 26.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.042 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.23 146.09 4.26 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.07 143.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 0.747 . . . . 0.0 109.96 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.1 t -167.94 109.91 0.6 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.448 1.092 . . . . 0.0 109.955 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.45 157.35 1.5 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -56.05 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 62.01 165.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.268 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.5 t -102.02 -54.37 2.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.033 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -125.33 98.74 5.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.324 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.6 t -153.74 166.08 33.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.376 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.2 mttt 62.65 179.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.619 HG21 ' HB2' ' A' ' 19' ' ' LEU . 12.7 mt -55.52 124.31 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.609 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 2.9 m -43.37 -46.11 6.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.05 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.609 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 154.81 -67.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.535 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.0 mt-10 -36.61 -82.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.635 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -29.82 -56.4 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.619 ' HB2' HG21 ' A' ' 14' ' ' ILE . 2.9 tp -53.06 -63.66 1.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -47.37 -43.04 19.35 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.537 1.148 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 44.4 mt -54.01 -65.36 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 109.349 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.746 ' HB3' HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -53.82 -35.07 61.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.499 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -58.69 -39.83 81.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.306 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.6 t -62.63 -43.27 99.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.598 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -65.1 -27.65 68.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.64 HD11 ' CD1' ' A' ' 22' ' ' LEU . 96.5 mt -69.09 -42.96 82.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.07 -12.64 60.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.609 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.75 -51.96 5.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.57 HG11 ' CE2' ' A' ' 25' ' ' PHE . 3.2 m -82.35 -49.79 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.531 ' O ' HG23 ' A' ' 26' ' ' ILE . . . 133.3 -108.81 0.77 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.549 1.156 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.5 mt -147.44 47.49 1.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -150.25 71.99 9.26 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.05 127.15 10.42 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -85.03 153.64 22.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -41.95 -27.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -78.05 -47.39 18.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.271 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.515 ' HB1' ' CZ ' ' A' ' 25' ' ' PHE . . . -58.24 -42.54 86.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.588 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.8 mt -61.25 -42.4 93.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -41.82 85.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.628 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.5 m -66.28 -37.38 85.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.383 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.469 HD22 ' HB2' ' A' ' 22' ' ' LEU . 86.9 mt -70.83 -38.75 73.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.697 ' HA ' HD11 ' A' ' 52' ' ' ILE . 2.1 t -72.3 -15.66 61.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.972 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.98 -68.42 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -40.61 -42.31 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.746 HD11 ' HB3' ' A' ' 22' ' ' LEU . 10.8 mt -93.35 -28.68 16.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 2.4 t0 80.9 22.08 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 47' ' ' LEU . 14.3 mt -95.64 163.14 22.1 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.751 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.3 Cg_endo -75.01 159.22 41.59 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.483 1.781 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.588 ' HG2' HG22 ' A' ' 38' ' ' ILE . 15.7 mtpt -62.86 -52.91 61.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.557 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.2 p-80 -49.26 -45.09 44.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.574 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.41 -60.85 2.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.751 HD12 ' O ' ' A' ' 48' ' ' PRO . 3.4 mt -54.75 -47.85 73.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.799 HG22 HE21 ' A' ' 57' ' ' GLN . 95.9 mt -56.99 -61.26 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.49 -71.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.513 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 3.0 t80 -37.5 -54.4 1.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.57 ' CE1' HG12 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -51.2 -52.74 41.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.13 . . . . 0.0 111.009 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.799 HE21 HG22 ' A' ' 53' ' ' ILE . 76.0 mt-30 -41.61 -34.62 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -68.76 -48.38 63.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 56' ' ' PHE . 38.5 mm-40 -49.83 -42.95 48.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.531 ' O ' HG12 ' A' ' 63' ' ' VAL . 1.1 mtt180 -68.53 -61.19 1.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -39.75 -36.02 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -56.45 -55.75 29.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.584 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 60' ' ' ARG . 9.8 p -74.28 146.37 10.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -110.99 -64.68 1.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -52.17 153.92 2.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.579 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 60.7 p -167.57 157.7 10.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.996 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -94.23 152.22 20.56 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.592 1.183 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 167.83 26.18 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.484 1.781 . . . . 0.0 111.008 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.7 p -158.52 -60.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.97 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.1 t -149.68 129.7 13.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.421 1.075 . . . . 0.0 110.067 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.472 1.108 . . . . 0.0 110.967 -179.947 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.9 p -144.5 157.77 44.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 110.01 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.52 -58.73 2.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.017 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.51 -175.72 45.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.454 1.096 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.93 102.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.748 . . . . 0.0 109.997 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.7 p -179.0 149.79 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.028 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.34 -76.34 0.42 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 145.24 31.23 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.546 1.813 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.91 120.91 12.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.356 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.6 m -115.22 107.73 15.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 110.071 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -90.23 109.55 20.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.274 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 t -73.61 -33.02 64.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.408 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.0 159.37 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.646 HG21 ' HB2' ' A' ' 19' ' ' LEU . 10.9 mt -101.44 120.12 50.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.607 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 3.6 m -39.13 -47.74 1.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.018 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.607 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 155.32 -66.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.548 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.4 mt-10 -36.17 -83.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.736 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -28.22 -58.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.646 ' HB2' HG21 ' A' ' 14' ' ' ILE . 2.3 tp -50.41 -62.64 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -50.23 -44.68 43.8 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.8 mt -51.69 -58.27 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.703 ' CD1' HD11 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -64.66 -38.25 90.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.39 -48.75 71.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.3 t -55.09 -43.14 73.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.113 . . . . 0.0 110.026 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.623 ' CE2' HG11 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -64.81 -30.79 71.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 111.023 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.703 HD11 ' CD1' ' A' ' 22' ' ' LEU . 92.8 mt -66.95 -43.58 89.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.64 -10.52 59.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.594 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -93.11 -53.46 4.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.623 HG11 ' CE2' ' A' ' 25' ' ' PHE . 2.4 m -82.89 -49.72 16.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.589 ' O ' HG23 ' A' ' 26' ' ' ILE . . . 138.77 -130.47 4.91 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.437 1.086 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 mt -138.56 58.84 1.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 0.756 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -171.17 64.34 0.4 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.956 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.565 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.05 172.25 16.73 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.514 1.797 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.49 165.36 13.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.592 1.183 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -47.65 -24.12 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.59 -51.0 11.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.259 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.26 -40.1 84.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.545 HG22 ' HG2' ' A' ' 49' ' ' LYS . 3.2 mt -64.09 -46.16 94.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -40.24 66.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.585 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.4 m -66.94 -36.68 82.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.385 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.623 HD22 ' HB2' ' A' ' 22' ' ' LEU . 88.2 mt -71.39 -38.87 71.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.698 ' HA ' HD11 ' A' ' 52' ' ' ILE . 1.4 t -72.07 -17.19 62.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.08 -68.09 0.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -40.14 -43.8 1.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.302 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.736 HD22 ' HA ' ' A' ' 18' ' ' ALA . 12.4 mt -91.78 -29.36 16.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 5.3 t0 81.9 23.6 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.247 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.495 ' O ' ' CB ' ' A' ' 42' ' ' SER . 18.2 mt -98.17 162.43 22.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.806 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.2 Cg_endo -75.04 161.9 37.9 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.536 1.809 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.545 ' HG2' HG22 ' A' ' 38' ' ' ILE . 11.7 mtpt -65.84 -52.11 53.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.9 p-80 -49.21 -40.79 34.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.596 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.56 -59.01 5.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.387 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.806 HD12 ' O ' ' A' ' 48' ' ' PRO . 3.2 mt -58.19 -43.87 86.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 80.1 mt -62.58 -61.5 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -41.74 -55.16 3.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.515 ' CE2' HD21 ' A' ' 22' ' ' LEU . 1.1 t80 -51.1 -49.69 60.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.565 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 1.2 m-85 -58.56 -44.3 89.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 111.041 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -50.56 -34.7 26.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -67.93 -52.62 34.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.638 ' O ' HG13 ' A' ' 63' ' ' VAL . 65.6 mm-40 -46.05 -53.1 10.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.723 ' HA ' HG22 ' A' ' 63' ' ' VAL . 7.5 mtp85 -60.98 -48.07 83.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -55.68 -24.12 32.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.411 ' O ' ' N ' ' A' ' 64' ' ' LYS . 1.1 m-70 -91.17 -61.26 1.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.6 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.723 HG22 ' HA ' ' A' ' 60' ' ' ARG . 8.1 m -51.47 94.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 62' ' ' HIS . 2.3 tmtm? -111.65 69.41 0.69 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.248 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -106.27 115.07 29.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.591 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.0 t -133.77 -60.15 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.987 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 157.48 -127.42 1.92 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.445 1.09 . . . . 0.0 111.032 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 81.18 2.27 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.468 1.772 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.63 93.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.024 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.79 113.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.976 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.525 1.14 . . . . 0.0 111.013 179.961 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t 67.33 149.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.972 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m 63.18 147.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.008 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.51 145.4 6.47 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.457 1.098 . . . . 0.0 111.044 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.8 p -142.87 -58.95 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 0.748 . . . . 0.0 110.005 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.57 156.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.025 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.27 -170.21 25.69 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.112 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 165.67 30.85 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.479 1.778 . . . . 0.0 110.949 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -65.76 112.31 3.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.0 141.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.983 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.9 42.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 110.257 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.0 t -165.22 141.96 5.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 110.393 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -167.9 33.82 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.672 HG21 ' HB2' ' A' ' 19' ' ' LEU . 24.7 mt -110.56 120.11 60.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.605 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 7.7 m -40.87 -47.73 2.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.019 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.605 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 155.28 -66.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.542 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.0 OUTLIER -36.38 -83.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.748 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -28.34 -60.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.672 ' HB2' HG21 ' A' ' 14' ' ' ILE . 2.4 tp -47.33 -62.24 1.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -51.07 -46.65 50.46 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.15 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 29.5 mt -49.37 -57.8 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.411 0.713 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.811 ' HB2' HD22 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -64.89 -35.39 80.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.409 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -56.91 -41.08 77.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.327 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.1 t -61.45 -39.89 92.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.0 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.79 ' CE2' HG11 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -68.9 -29.96 68.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.701 HD11 ' CD1' ' A' ' 22' ' ' LEU . 96.3 mt -66.17 -41.47 89.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.89 -13.5 59.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.565 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -90.46 -53.41 4.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.79 HG11 ' CE2' ' A' ' 25' ' ' PHE . 1.5 m -82.86 -45.6 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.571 ' O ' HG23 ' A' ' 26' ' ' ILE . . . 129.25 -117.37 2.4 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.465 1.103 . . . . 0.0 110.985 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.8 mt -141.4 41.81 1.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 0.738 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -143.01 71.4 18.59 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.563 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -75.0 156.19 42.98 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.463 1.77 . . . . 0.0 110.983 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.512 ' H ' ' HB3' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -116.23 157.24 25.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -44.03 -26.43 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -80.07 -44.32 20.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.512 ' HB3' ' H ' ' A' ' 34' ' ' ASP . . . -64.57 -43.76 92.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.597 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.5 mt -61.31 -40.4 85.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -45.86 90.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.622 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.4 m -62.67 -36.11 81.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.403 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.811 HD22 ' HB2' ' A' ' 22' ' ' LEU . 92.5 mt -71.9 -37.52 70.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.719 ' HA ' HD11 ' A' ' 52' ' ' ILE . 1.5 t -73.64 -16.77 61.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.989 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.9 -67.27 0.85 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -40.64 -45.87 2.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.748 HD22 ' HA ' ' A' ' 18' ' ' ALA . 11.8 mt -89.79 -29.97 18.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 5.4 t0 82.04 23.64 0.23 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.425 ' O ' ' HA ' ' A' ' 42' ' ' SER . 15.7 mt -97.89 162.78 21.09 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.801 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.3 Cg_endo -75.01 159.35 41.44 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.769 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.597 ' HG2' HG22 ' A' ' 38' ' ' ILE . 2.0 mtpm? -63.35 -53.26 55.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.557 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.2 p-80 -48.58 -46.21 38.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 109.575 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -58.34 -59.23 5.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.383 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.801 HD12 ' O ' ' A' ' 48' ' ' PRO . 3.7 mt -56.09 -46.14 80.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 96.4 mt -58.21 -58.55 5.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -40.67 -66.4 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.617 ' CE2' ' CD1' ' A' ' 19' ' ' LEU . 1.8 t80 -39.37 -59.43 1.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.573 ' CE1' HG12 ' A' ' 26' ' ' ILE . 1.7 m-85 -47.11 -53.88 11.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -47.21 -29.47 2.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -81.15 -35.96 30.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.576 ' OE1' ' CZ ' ' A' ' 55' ' ' PHE . 2.2 tp60 -56.81 -42.43 79.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -65.4 0.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -41.71 -41.04 2.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.945 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -54.75 -50.33 68.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.639 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.1 p -87.01 165.65 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.32 150.97 0.75 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -172.12 -58.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.589 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.52 134.26 40.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.996 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.98 120.34 9.57 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 155.58 42.9 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.455 1.766 . . . . 0.0 111.012 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 p -68.81 152.81 44.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.99 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.5 m -52.46 -57.15 10.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.976 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.461 1.101 . . . . 0.0 111.02 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 75.08 -59.01 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 109.993 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.1 p -104.7 93.28 4.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.951 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.21 73.12 1.2 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.45 1.094 . . . . 0.0 111.03 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 p -112.81 -57.24 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 110.029 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 m 68.39 161.47 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.989 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.25 -145.47 4.37 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 67.67 5.89 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.553 1.817 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.9 mtt85 -92.27 164.5 13.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.15 -58.72 3.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.973 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.05 129.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.71 58.21 1.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.433 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.2 mttt 66.22 -87.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.923 HD13 ' CD2' ' A' ' 19' ' ' LEU . 3.2 mp -60.96 115.27 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.54 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 4.0 m -39.05 -48.69 1.68 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.54 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 161.09 -69.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.573 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -36.46 -84.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.677 ' HB1' HD13 ' A' ' 45' ' ' LEU . . . -26.29 -54.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.923 ' CD2' HD13 ' A' ' 14' ' ' ILE . 0.1 OUTLIER -44.87 -67.28 0.3 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 0.0 109.258 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -47.73 -47.41 24.38 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.487 1.117 . . . . 0.0 110.95 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.9 mt -50.16 -58.63 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.775 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.796 ' HB3' HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -66.23 -24.44 66.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.63 -48.51 54.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.7 t -58.14 -41.68 84.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.977 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.537 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -61.1 -38.62 86.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 111.016 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.74 HD12 HD12 ' A' ' 22' ' ' LEU . 1.8 mt -62.33 -44.63 99.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -72.8 -10.15 59.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.589 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.81 -57.52 2.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.537 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 3.9 m -82.13 -50.7 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.476 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 140.92 -142.15 11.96 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.475 1.109 . . . . 0.0 111.041 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.546 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 45.8 mt -129.06 58.98 1.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.771 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.546 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 89.6 m-85 -162.71 63.65 1.41 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.143 . . . . 0.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.03 169.94 21.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.514 1.797 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.415 ' C ' ' N ' ' A' ' 36' ' ' GLU . 0.8 OUTLIER -123.92 166.46 15.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -44.49 -26.02 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -77.4 -51.57 10.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.285 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.404 ' N ' ' HG2' ' A' ' 36' ' ' GLU . . . -58.18 -43.85 87.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.559 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.6 mt -61.58 -40.27 86.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -35.55 76.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.604 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.3 m -72.86 -33.22 65.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.351 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.627 HD22 ' HB2' ' A' ' 22' ' ' LEU . 97.6 mt -74.56 -36.52 63.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.719 ' HA ' HD11 ' A' ' 52' ' ' ILE . 1.1 t -72.87 -18.2 61.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.001 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.08 -67.81 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -40.74 -42.2 1.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.796 HD11 ' HB3' ' A' ' 22' ' ' LEU . 12.3 mt -92.98 -30.21 15.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 7.0 t70 82.64 23.75 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.485 ' O ' ' CB ' ' A' ' 42' ' ' SER . 16.7 mt -99.43 162.63 20.66 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.663 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.3 Cg_endo -74.95 162.07 37.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.486 1.782 . . . . 0.0 111.057 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.559 ' HG2' HG22 ' A' ' 38' ' ' ILE . 13.3 mtpt -65.94 -51.89 54.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.7 p-80 -49.13 -51.5 31.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.58 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.8 m -53.9 -54.2 42.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.395 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.719 HD11 ' HA ' ' A' ' 42' ' ' SER . 5.8 mt -59.83 -51.45 72.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.351 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.706 HG22 HE21 ' A' ' 57' ' ' GLN . 95.0 mt -54.54 -60.15 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.53 -60.99 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.629 ' CE2' HD11 ' A' ' 22' ' ' LEU . 2.2 t80 -43.41 -53.44 5.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.677 ' CZ ' HD11 ' A' ' 26' ' ' ILE . 2.4 m-85 -55.19 -49.77 71.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.706 HE21 HG22 ' A' ' 53' ' ' ILE . 47.5 mt-30 -43.08 -31.44 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -80.95 -43.69 19.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 56' ' ' PHE . 2.9 mm100 -49.04 -55.65 11.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.271 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -39.08 -68.41 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 110.318 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -43.59 -40.65 4.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.463 ' O ' HG23 ' A' ' 63' ' ' VAL . 3.2 m-70 -84.61 79.58 9.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.564 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 62' ' ' HIS . 50.7 t -154.57 131.3 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.77 153.77 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 76.32 -65.06 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.563 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.2 m -107.73 101.76 11.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.044 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -62.63 134.09 44.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 59.72 5.21 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.497 1.788 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 47.27 84.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.996 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.1 t -99.07 101.03 12.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.006 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 t -70.14 95.98 1.03 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.748 . . . . 0.0 110.011 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -167.99 133.96 1.97 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.028 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.43 -130.92 4.61 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.453 1.096 . . . . 0.0 110.962 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t 64.02 110.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 109.983 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.12 154.59 21.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.978 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.58 103.58 0.06 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.432 1.083 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -45.35 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.446 1.761 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.93 -58.13 0.66 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.324 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.4 p 40.07 86.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.002 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.05 -51.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -43.72 133.96 4.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.393 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -79.2 154.54 29.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.615 HG21 ' HB2' ' A' ' 19' ' ' LEU . 15.3 mt -66.27 124.51 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.617 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 4.9 m -42.46 -45.8 4.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 110.024 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.617 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 153.94 -67.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.542 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.2 mt-10 -36.16 -82.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.726 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -29.27 -57.36 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.615 ' HB2' HG21 ' A' ' 14' ' ' ILE . 2.4 tp -52.29 -68.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -45.34 -45.49 11.04 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 77.2 mt -49.28 -64.15 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.811 HD12 HD12 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -61.73 -36.18 80.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.54 -49.17 77.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.326 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.9 t -55.66 -42.41 75.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.021 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.571 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -61.75 -33.0 73.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.811 HD12 HD12 ' A' ' 22' ' ' LEU . 1.8 mt -65.14 -44.15 95.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.85 -11.23 60.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.592 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.25 -58.22 2.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.571 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 2.2 m -84.11 -49.85 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.483 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 139.35 -146.34 17.9 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.46 1.1 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.417 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 17.1 mt -124.66 56.27 1.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.777 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.419 ' N ' ' HD3' ' A' ' 33' ' ' PRO . 87.9 m-85 -158.22 62.88 2.48 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.978 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.575 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.99 177.85 8.04 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.545 1.813 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.531 ' H ' ' HB3' ' A' ' 37' ' ' ALA . 16.4 m-20 -131.1 162.89 28.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -41.38 -28.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -76.93 -52.23 9.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 110.296 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.531 ' HB3' ' H ' ' A' ' 34' ' ' ASP . . . -57.93 -41.0 81.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.584 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.7 mt -64.02 -45.74 95.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.01 -40.04 66.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.596 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.6 m -66.91 -36.91 83.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.408 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.668 HD22 ' HB2' ' A' ' 22' ' ' LEU . 81.9 mt -71.02 -36.41 72.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.66 ' HA ' HD11 ' A' ' 52' ' ' ILE . 1.7 t -75.09 -16.29 60.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.963 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.75 -66.78 0.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -42.2 -43.64 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.726 HD22 ' HA ' ' A' ' 18' ' ' ALA . 10.4 mt -91.86 -27.64 17.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.478 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 1.6 t70 79.96 22.62 0.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 42' ' ' SER . 16.0 mt -96.9 163.31 20.41 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.562 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.3 Cg_endo -75.0 159.22 41.63 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.511 1.795 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.584 ' HG2' HG22 ' A' ' 38' ' ' ILE . 10.3 mtpt -62.43 -54.03 46.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.3 p-80 -48.18 -48.47 34.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.605 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -53.01 -54.97 27.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.424 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.66 HD11 ' HA ' ' A' ' 42' ' ' SER . 4.2 mt -61.79 -53.69 44.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 85.3 mt -50.67 -63.6 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.97 -65.42 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.515 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 0.7 OUTLIER -39.27 -63.41 0.55 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.575 ' CE1' ' HG3' ' A' ' 33' ' ' PRO . 2.2 m-85 -40.83 -57.54 1.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.061 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -40.01 -49.59 2.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 110.293 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -62.56 -43.38 98.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.537 ' O ' HG13 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -46.92 -55.23 8.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.771 ' HA ' HG22 ' A' ' 63' ' ' VAL . 13.7 mtp180 -63.62 -60.3 3.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -42.08 -28.97 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -85.22 -61.04 1.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.598 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.771 HG22 ' HA ' ' A' ' 60' ' ' ARG . 11.2 m -60.16 160.3 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -147.31 -68.35 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -69.89 109.55 4.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.549 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.6 p -148.07 141.63 25.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 110.028 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.94 96.71 0.12 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.54 1.15 . . . . 0.0 111.032 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 86.91 1.37 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.453 1.765 . . . . 0.0 110.974 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.18 -53.43 3.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.23 86.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.003 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.937 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 179.956 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 p -108.09 141.68 39.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 0.791 . . . . 0.0 110.017 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.2 117.67 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.026 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.0 69.28 1.15 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.2 p -99.65 107.95 20.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 0.0 109.973 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 t -170.47 104.94 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 110.036 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.75 165.73 24.13 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.13 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 73.13 4.4 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.514 1.797 . . . . 0.0 110.984 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.723 ' HB3' HG21 ' A' ' 12' ' ' THR . 5.6 mtp180 -146.86 115.47 6.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.093 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.0 m -79.75 141.34 36.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.036 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 11' ' ' ARG . 0.0 OUTLIER 51.87 93.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.723 HG21 ' HB3' ' A' ' 9' ' ' ARG . 0.7 OUTLIER -179.14 130.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.412 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.4 mttm 62.14 115.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.553 HD13 HD22 ' A' ' 19' ' ' LEU . 3.1 mp -47.27 112.13 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.522 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 4.4 m -39.37 -49.55 2.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.977 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.522 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 161.66 -69.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.56 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -36.5 -84.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.612 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -25.31 -53.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.553 HD22 HD13 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -39.85 -71.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.5 -44.91 37.29 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.513 HG22 HD21 ' A' ' 45' ' ' LEU . 27.6 mt -51.76 -38.01 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 0.781 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.887 ' HB3' HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -86.19 -35.79 19.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -48.45 81.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.5 t -49.28 -44.64 44.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.993 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.763 ' O ' HG22 ' A' ' 29' ' ' VAL . 1.5 t80 -64.2 -46.64 83.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.777 HD11 ' CD1' ' A' ' 22' ' ' LEU . 98.7 mt -53.51 -29.32 16.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -84.35 -21.87 30.76 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.621 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -83.23 -13.17 55.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.763 HG22 ' O ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -128.23 -89.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.706 ' O ' HG23 ' A' ' 26' ' ' ILE . . . 175.56 -112.75 0.41 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.5 mt -143.52 28.87 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.786 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.429 ' N ' ' HD3' ' A' ' 33' ' ' PRO . 90.7 m-85 -140.27 62.4 20.0 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -75.0 174.94 11.92 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -114.56 158.04 22.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -42.09 -29.81 0.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.41 ' HG2' ' N ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -71.2 -50.55 31.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.681 ' HB1' ' CZ ' ' A' ' 25' ' ' PHE . . . -60.36 -38.48 84.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.4 mt -67.06 -43.26 88.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.322 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.53 -41.11 76.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.568 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.1 m -66.01 -34.87 79.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 110.406 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.744 HD22 ' HB2' ' A' ' 22' ' ' LEU . 94.6 mt -73.98 -37.4 64.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.711 ' HA ' HD11 ' A' ' 52' ' ' ILE . 1.6 t -73.11 -16.72 61.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.998 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.3 -67.84 0.83 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -40.17 -44.02 1.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 110.273 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.887 HD11 ' HB3' ' A' ' 22' ' ' LEU . 11.0 mt -91.83 -29.26 16.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER 81.01 23.54 0.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.422 ' O ' ' HA ' ' A' ' 42' ' ' SER . 16.4 mt -97.77 162.33 22.73 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.744 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.4 Cg_endo -74.96 161.72 38.4 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -65.34 -53.34 45.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.257 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.548 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.9 p-80 -48.1 -43.68 31.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.63 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -60.89 -58.64 7.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.388 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.744 HD12 ' O ' ' A' ' 48' ' ' PRO . 3.8 mt -57.16 -44.29 83.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.61 -59.38 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -44.24 -65.04 0.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.68 ' HE2' HD21 ' A' ' 22' ' ' LEU . 1.9 t80 -42.69 -54.2 4.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.577 ' CZ ' HG12 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -47.81 -49.47 28.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -52.0 -32.05 32.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -68.12 -51.89 41.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -43.47 -56.21 3.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.341 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 -48.75 -59.19 3.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -57.15 -29.07 63.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -106.54 74.46 1.01 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.636 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.8 p -139.8 139.95 36.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.3 -63.99 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 50.6 m170 -71.51 125.99 28.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.619 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.0 t -85.32 120.15 26.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.026 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.84 -178.3 46.29 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.526 1.141 . . . . 0.0 110.958 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 103.61 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.525 1.803 . . . . 0.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.9 t -163.95 131.97 3.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 m -99.92 170.78 8.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 110.01 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.66 -57.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 0.769 . . . . 0.0 110.036 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.53 -56.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 109.995 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.19 172.08 17.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.527 1.142 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.0 p -160.95 -58.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 110.025 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 p -151.14 -59.18 0.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.13 168.9 19.35 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 113.11 3.72 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.529 1.805 . . . . 0.0 110.976 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 69.61 -68.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.0 t 75.75 115.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mtm105 -154.63 127.67 8.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.379 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.6 t -105.56 159.62 15.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.412 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -90.29 132.67 35.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.651 HG21 ' HB2' ' A' ' 19' ' ' LEU . 21.3 mt -88.18 119.69 35.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.604 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 8.7 m -39.33 -48.16 1.83 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.966 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.604 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 155.2 -66.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.539 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.7 mt-10 -36.16 -83.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.841 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -29.01 -59.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.651 ' HB2' HG21 ' A' ' 14' ' ' ILE . 2.9 tp -48.1 -63.6 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -50.35 -46.77 44.39 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.134 . . . . 0.0 111.035 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.436 HD12 ' HA ' ' A' ' 18' ' ' ALA . 19.4 mt -48.3 -55.83 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.754 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.719 HD12 ' CD1' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -69.85 -31.82 69.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -62.72 -40.87 98.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.2 t -64.06 -40.34 96.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.998 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.597 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -65.39 -30.59 71.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.987 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.719 ' CD1' HD12 ' A' ' 22' ' ' LEU . 2.7 mt -64.36 -40.4 88.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -80.05 -13.3 59.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 109.573 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -88.55 -50.24 6.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.597 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 1.5 m -94.59 -48.92 12.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.503 ' CA ' ' O ' ' A' ' 26' ' ' ILE . . . 139.09 -141.66 12.09 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.53 1.143 . . . . 0.0 111.063 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.3 mt -128.16 46.67 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.753 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.404 ' N ' ' HD3' ' A' ' 33' ' ' PRO . 87.9 m-85 -147.34 63.79 8.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.57 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.2 Cg_endo -74.98 174.22 13.15 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.491 1.785 . . . . 0.0 110.992 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.488 ' H ' ' HB3' ' A' ' 37' ' ' ALA . 0.8 OUTLIER -127.34 164.23 22.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -43.36 -26.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -77.8 -51.64 10.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.488 ' HB3' ' H ' ' A' ' 34' ' ' ASP . . . -57.87 -41.87 83.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.589 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.5 mt -63.55 -40.93 90.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -38.05 78.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.637 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.7 m -69.9 -35.46 74.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.425 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.68 HD22 ' HB2' ' A' ' 22' ' ' LEU . 85.8 mt -71.78 -37.98 70.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.694 ' HA ' HD11 ' A' ' 52' ' ' ILE . 1.7 t -72.9 -16.41 61.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.98 -67.87 0.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -41.06 -42.12 1.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.841 HD22 ' HA ' ' A' ' 18' ' ' ALA . 11.7 mt -93.17 -29.74 15.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 2.0 t70 82.02 23.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 42' ' ' SER . 15.8 mt -98.15 163.22 19.73 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.6 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.2 Cg_endo -75.04 158.96 41.75 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.589 ' HG2' HG22 ' A' ' 38' ' ' ILE . 0.6 OUTLIER -61.93 -54.41 42.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.563 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.4 p-80 -47.94 -49.25 30.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.616 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -52.61 -56.57 14.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.439 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.694 HD11 ' HA ' ' A' ' 42' ' ' SER . 3.7 mt -60.81 -47.57 92.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.59 HG22 HE21 ' A' ' 57' ' ' GLN . 41.4 mt -55.52 -66.46 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -40.3 -65.28 0.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.417 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 1.8 t80 -37.58 -61.64 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.57 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 1.2 m-85 -44.49 -53.55 6.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.59 HE21 HG22 ' A' ' 53' ' ' ILE . 45.9 mt-30 -39.42 -50.06 2.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -61.8 -44.85 96.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.4 OUTLIER -46.99 -58.5 3.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -42.2 -49.89 4.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -69.48 -34.17 73.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -99.58 89.27 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.593 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.43 ' CG2' ' HB2' ' A' ' 66' ' ' SER . 14.5 p -156.28 146.7 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.38 -70.28 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -103.82 75.6 1.31 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 109.61 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.43 ' HB2' ' CG2' ' A' ' 63' ' ' VAL . 0.5 OUTLIER -177.67 151.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 140.56 -117.34 1.26 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.501 1.125 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 132.95 16.03 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.489 1.783 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 85.0 p -125.6 110.75 14.2 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.031 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.5 m 60.05 152.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.969 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.4 p -71.46 111.06 6.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 0.79 . . . . 0.0 109.974 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.5 p -114.81 103.67 11.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.68 -134.23 1.13 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.446 1.091 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.97 109.34 18.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 0.744 . . . . 0.0 109.98 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -177.28 119.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.999 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.74 -123.74 1.19 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.509 1.131 . . . . 0.0 111.049 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 99.04 1.21 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.446 1.761 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.89 94.8 5.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 68.1 p -131.33 89.98 2.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.972 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -144.77 101.54 3.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.26 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.6 p -64.42 137.39 57.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.416 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -148.82 117.52 6.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.641 HG21 ' HB2' ' A' ' 19' ' ' LEU . 54.7 mt 61.4 120.58 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.621 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 4.2 m -38.6 -47.99 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.993 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.621 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 154.61 -66.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.534 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.6 mt-10 -36.16 -83.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 110.37 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.787 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -28.39 -60.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.641 ' HB2' HG21 ' A' ' 14' ' ' ILE . 2.3 tp -47.94 -62.7 1.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -50.11 -49.11 37.79 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.459 HD12 ' HA ' ' A' ' 18' ' ' ALA . 18.2 mt -45.89 -60.31 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.545 0.791 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.697 ' HB2' HD22 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -63.92 -38.21 90.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.413 ' N ' ' HG ' ' A' ' 22' ' ' LEU . 4.4 tm0? -51.58 -36.02 43.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.1 t -65.76 -38.18 88.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.05 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.677 ' CE2' HG11 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -69.84 -30.68 68.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.496 HG23 ' O ' ' A' ' 30' ' ' GLY . 59.6 mt -66.79 -39.8 84.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -78.45 -13.47 59.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.627 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -90.96 -52.21 4.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.677 HG11 ' CE2' ' A' ' 25' ' ' PHE . 2.5 m -82.75 -47.77 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.496 ' O ' HG23 ' A' ' 26' ' ' ILE . . . 138.86 -87.71 0.21 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.518 1.136 . . . . 0.0 110.955 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.456 HD23 HG23 ' A' ' 26' ' ' ILE . 52.1 mt -151.55 -86.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 0.733 . . . . 0.0 109.36 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.445 ' O ' ' CD2' ' A' ' 32' ' ' TYR . 7.5 p90 -37.52 97.84 0.14 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.972 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.557 ' HG3' ' CE2' ' A' ' 56' ' ' PHE . 18.1 Cg_endo -75.02 -164.77 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.448 1.762 . . . . 0.0 110.971 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.572 ' H ' ' HB3' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -144.26 148.49 34.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.339 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -43.03 -27.01 0.17 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -82.2 -43.33 17.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.261 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.572 ' HB3' ' H ' ' A' ' 34' ' ' ASP . . . -65.53 -42.22 92.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.578 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.6 mt -61.42 -41.01 88.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.256 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -43.07 94.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.645 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.0 m -65.16 -38.75 91.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.427 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.697 HD22 ' HB2' ' A' ' 22' ' ' LEU . 76.0 mt -69.47 -39.27 77.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.677 ' HA ' HD11 ' A' ' 52' ' ' ILE . 1.4 t -71.61 -16.95 62.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.96 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.61 -68.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -40.72 -44.45 2.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.787 HD22 ' HA ' ' A' ' 18' ' ' ALA . 11.4 mt -90.86 -29.31 17.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 0.9 OUTLIER 81.66 22.35 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.461 ' O ' ' CB ' ' A' ' 42' ' ' SER . 16.3 mt -95.6 162.98 22.55 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.664 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.3 Cg_endo -75.03 160.65 39.82 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.437 1.757 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.578 ' HG2' HG22 ' A' ' 38' ' ' ILE . 11.1 mtpt -64.82 -52.07 58.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.547 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.9 p-80 -49.6 -44.24 46.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.599 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -57.73 -58.74 7.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.407 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.677 HD11 ' HA ' ' A' ' 42' ' ' SER . 3.6 mt -57.5 -42.48 81.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 70.2 mt -59.95 -63.83 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.75 -59.09 1.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.519 ' CE2' HD21 ' A' ' 22' ' ' LEU . 1.7 t80 -47.04 -57.54 4.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.557 ' CE2' ' HG3' ' A' ' 33' ' ' PRO . 1.4 m-85 -48.19 -47.46 35.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -58.24 -26.09 62.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -92.66 27.03 2.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.572 ' HA ' ' CE1' ' A' ' 62' ' ' HIS . 3.7 tm0? -113.67 -56.13 2.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.28 -16.97 9.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.554 ' CE1' ' HB3' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -82.79 -22.39 34.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 111.042 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.572 ' CE1' ' HA ' ' A' ' 59' ' ' GLN . 1.1 p-80 -115.79 3.63 13.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.574 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 62' ' ' HIS . 6.3 p -40.43 154.94 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 63' ' ' VAL . 0.2 OUTLIER -40.52 -66.15 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.272 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -50.07 154.47 1.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.586 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.6 p -177.94 131.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 110.032 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -122.03 79.67 0.34 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 96.75 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.482 1.78 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.1 t -101.9 -62.13 1.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 110.035 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.1 p 49.93 78.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.014 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.462 1.101 . . . . 0.0 111.015 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.7 p -166.15 161.24 16.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 109.96 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.66 82.67 6.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.991 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.58 168.8 7.19 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -164.96 125.31 1.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 110.036 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m 62.05 171.59 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.985 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.67 -178.56 33.05 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.125 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 155.23 43.32 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.537 1.809 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -163.97 144.52 8.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.085 . . . . 0.0 110.359 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.8 m 63.54 109.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.007 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -154.37 120.28 5.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.263 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 t -112.5 161.57 16.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.421 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.49 -77.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.662 HD13 HD23 ' A' ' 19' ' ' LEU . 3.7 mp -82.1 127.91 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.613 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -39.24 -44.73 1.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.013 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.613 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 155.2 -71.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.536 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.2 mt-10 -35.58 -82.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.678 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -29.3 -50.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.808 HD21 ' CZ ' ' A' ' 55' ' ' PHE . 1.0 OUTLIER -57.06 -73.42 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -42.89 -35.77 2.34 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.558 1.161 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 44.1 mt -59.26 -53.48 47.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 0.743 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.787 HD12 HD12 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -73.93 -36.8 64.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.406 ' N ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -57.24 -41.74 80.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.3 t -63.65 -50.25 70.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.995 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.618 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -52.95 -36.62 60.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 111.037 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.787 HD12 HD12 ' A' ' 22' ' ' LEU . 1.9 mt -61.24 -47.89 91.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -71.84 -9.64 58.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.608 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.41 -59.26 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.618 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -82.32 -49.96 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.17 . . . . 0.0 109.339 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.513 ' HA3' ' CZ ' ' A' ' 32' ' ' TYR . . . 143.38 -148.58 20.38 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.504 1.127 . . . . 0.0 111.04 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.508 HD21 HG21 ' A' ' 26' ' ' ILE . 5.3 mt -127.54 57.68 1.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 0.744 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.513 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 0.5 OUTLIER -163.76 63.4 1.18 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.571 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -74.99 174.21 13.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.503 1.791 . . . . 0.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -122.39 168.28 12.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -47.41 -23.89 0.69 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.405 ' HG2' ' N ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -79.76 -51.99 8.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.307 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.405 ' N ' ' HG2' ' A' ' 36' ' ' GLU . . . -58.13 -40.21 80.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.584 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.8 mt -63.96 -44.41 97.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -39.91 71.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.605 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.2 m -67.41 -34.68 77.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.403 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.663 HD22 ' HB2' ' A' ' 22' ' ' LEU . 94.6 mt -73.3 -35.8 66.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.71 ' HA ' HD11 ' A' ' 52' ' ' ILE . 2.0 t -75.08 -15.91 60.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.033 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.63 -67.05 0.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -41.45 -43.0 2.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.678 HD22 ' HA ' ' A' ' 18' ' ' ALA . 9.9 mt -92.6 -29.93 15.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER 82.17 21.52 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 47' ' ' LEU . 14.8 mt -96.5 163.18 21.1 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.573 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.2 Cg_endo -75.05 162.54 36.83 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.584 ' HG2' HG22 ' A' ' 38' ' ' ILE . 1.4 mtpm? -65.8 -52.13 53.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.573 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.7 p-80 -48.82 -52.68 22.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.556 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.3 m -52.91 -49.99 64.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.426 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.71 HD11 ' HA ' ' A' ' 42' ' ' SER . 8.2 mt -63.26 -53.18 49.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 95.5 mt -53.47 -59.19 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.13 -64.99 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.808 ' CZ ' HD21 ' A' ' 19' ' ' LEU . 7.0 t80 -44.33 -52.01 7.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.571 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 2.0 m-85 -55.6 -53.63 54.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -41.04 -48.41 3.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -65.87 -48.88 70.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.08 -54.89 2.2 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 110.348 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.604 ' O ' HG12 ' A' ' 63' ' ' VAL . 0.4 OUTLIER -44.78 -60.45 2.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.442 ' CE2' ' CE1' ' A' ' 62' ' ' HIS . 51.0 t80 -53.3 -34.72 58.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 111.027 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.442 ' CE1' ' CE2' ' A' ' 61' ' ' TYR . 78.1 m-70 -102.63 87.92 3.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.621 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.604 HG12 ' O ' ' A' ' 60' ' ' ARG . 9.3 p -151.13 131.73 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.95 90.31 3.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 45.92 82.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.599 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.24 132.04 42.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 110.036 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.52 -145.86 49.08 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.449 1.093 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 64.1 6.04 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 0.0 110.982 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.1 t -102.71 94.39 5.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.7 p -133.31 109.65 9.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.939 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 179.946 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -135.13 -58.45 0.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.764 . . . . 0.0 109.949 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.51 133.81 34.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.963 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.61 159.64 32.09 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.117 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 t -77.03 -59.73 2.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 110.016 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 t -153.05 -60.73 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.83 -175.1 45.9 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 137.23 21.41 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.483 1.781 . . . . 0.0 110.952 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.59 122.61 44.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.0 p -110.28 167.75 9.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.03 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.855 ' O ' HG22 ' A' ' 12' ' ' THR . 0.0 OUTLIER -141.14 162.21 36.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.855 HG22 ' O ' ' A' ' 11' ' ' ARG . 11.8 t 53.96 165.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.394 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.8 tttm -142.53 95.65 2.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.606 HG21 ' HB2' ' A' ' 19' ' ' LEU . 24.0 mt -55.76 123.13 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.624 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 2.5 m -38.94 -46.82 1.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.035 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.624 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 153.63 -66.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.52 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.5 mt-10 -36.27 -83.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.733 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -28.91 -58.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.606 ' HB2' HG21 ' A' ' 14' ' ' ILE . 2.4 tp -51.7 -67.56 0.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -47.24 -43.22 18.68 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.447 1.092 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.7 mt -52.47 -61.83 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.526 0.78 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.831 ' HB2' HD22 ' A' ' 41' ' ' LEU . 0.4 OUTLIER -63.11 -36.47 83.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.06 -41.36 68.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.2 t -61.45 -39.53 91.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.672 ' CE2' HG11 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -68.94 -27.55 65.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.574 HG12 ' CE1' ' A' ' 56' ' ' PHE . 67.1 mt -69.46 -42.0 80.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.41 -12.69 60.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.612 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.9 -53.61 4.2 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.672 HG11 ' CE2' ' A' ' 25' ' ' PHE . 2.3 m -81.22 -45.4 20.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.548 ' O ' HG23 ' A' ' 26' ' ' ILE . . . 127.59 -114.19 1.85 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.9 mt -144.03 49.16 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 0.725 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -149.85 67.96 8.76 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.574 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.05 138.0 22.34 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.469 1.773 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -96.67 155.99 16.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -43.15 -26.81 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.345 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -78.36 -44.65 24.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . -62.89 -42.98 99.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.572 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.7 mt -62.69 -42.98 98.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -35.99 72.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.609 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.4 m -72.57 -34.01 67.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.441 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.831 HD22 ' HB2' ' A' ' 22' ' ' LEU . 92.5 mt -75.04 -34.56 61.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.702 ' HA ' HD11 ' A' ' 52' ' ' ILE . 2.6 t -75.72 -14.9 60.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.046 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -100.47 -67.28 0.86 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -40.56 -41.62 1.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.733 HD22 ' HA ' ' A' ' 18' ' ' ALA . 11.7 mt -95.1 -29.64 14.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 4.3 t0 82.3 21.31 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 47' ' ' LEU . 15.8 mt -94.49 162.64 25.29 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.558 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.4 Cg_endo -75.05 159.43 41.2 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.572 ' HG2' HG22 ' A' ' 38' ' ' ILE . 15.4 mtpt -63.95 -52.52 59.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.0 p-80 -48.97 -48.68 43.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.649 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -55.01 -52.89 61.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.403 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.702 HD11 ' HA ' ' A' ' 42' ' ' SER . 9.0 mt -62.98 -47.11 94.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 91.7 mt -57.38 -63.07 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -41.6 -69.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.47 ' CE2' HD21 ' A' ' 22' ' ' LEU . 0.9 OUTLIER -37.42 -56.45 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.574 ' CE1' HG12 ' A' ' 26' ' ' ILE . 0.6 OUTLIER -49.36 -56.63 8.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -41.93 -42.76 2.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -63.95 -47.99 78.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -42.14 -50.99 4.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -54.35 -62.03 1.92 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -39.46 -59.91 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -95.86 99.23 11.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.602 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.6 p -141.96 147.78 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.417 ' HD2' ' CD2' ' A' ' 65' ' ' HIS . 0.9 OUTLIER -67.21 157.72 33.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.417 ' CD2' ' HD2' ' A' ' 64' ' ' LYS . 20.7 m170 68.29 166.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.593 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.9 163.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.987 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -124.24 121.96 4.62 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.556 1.16 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -50.14 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.512 1.796 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.3 m -151.42 151.83 32.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.997 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.5 m -62.93 163.05 10.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.982 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 m -63.33 139.09 58.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 109.981 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.96 159.02 41.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.013 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.07 87.48 0.06 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.18 93.89 2.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 0.788 . . . . 0.0 109.998 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.81 150.55 50.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.034 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.61 169.09 25.91 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.488 1.118 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -171.73 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.466 1.772 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.04 139.8 47.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.337 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.0 t -133.87 151.51 51.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 110.023 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.02 134.29 52.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.5 t -64.96 150.93 47.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.438 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -174.48 116.5 0.2 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.498 HG21 ' N ' ' A' ' 19' ' ' LEU . 4.0 mp -128.77 123.48 59.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.565 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 1.1 m -39.34 -46.01 1.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.565 ' CB ' ' O ' ' A' ' 15' ' ' SER . 8.9 tp 159.02 -70.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.556 ' O ' ' C ' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -36.09 -83.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 110.277 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.68 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -27.78 -47.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.768 ' O ' HD13 ' A' ' 22' ' ' LEU . 0.8 OUTLIER -61.96 -75.61 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -41.46 -26.72 0.24 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.454 HG21 HD21 ' A' ' 45' ' ' LEU . 19.9 mt -67.62 -64.2 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.767 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.843 HD22 ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -70.65 -18.83 62.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.622 ' N ' HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -74.05 -35.88 64.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.268 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.4 t -68.52 -34.52 76.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.023 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.826 ' CE2' HG11 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -73.21 -27.5 61.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.569 HG12 ' CE1' ' A' ' 56' ' ' PHE . 44.3 mt -68.72 -45.1 81.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -73.24 -13.46 61.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.637 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.23 -55.87 3.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.826 HG11 ' CE2' ' A' ' 25' ' ' PHE . 2.1 m -76.63 -47.55 28.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.461 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 133.85 -140.98 12.26 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.469 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 12.6 mt -129.28 56.75 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 0.782 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.469 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 77.8 m-85 -162.38 63.15 1.41 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.567 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.98 173.28 14.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.466 1.772 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' A' ' 36' ' ' GLU . 7.0 m-20 -124.56 163.24 22.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.085 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -46.65 -24.42 0.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -77.86 -50.37 12.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.42 -46.19 89.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.533 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.6 mt -57.97 -47.86 85.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -51.72 -44.03 63.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.608 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.0 m -63.06 -36.0 82.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.431 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.726 HD22 ' HB2' ' A' ' 22' ' ' LEU . 52.9 mt -72.67 -34.11 67.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.698 ' HA ' HD11 ' A' ' 52' ' ' ILE . 1.9 t -78.36 -14.5 59.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.013 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -99.28 -66.17 0.92 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -41.05 -41.46 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.68 HD22 ' HA ' ' A' ' 18' ' ' ALA . 10.2 mt -96.04 -26.17 15.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.464 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 6.2 t0 79.4 20.21 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.469 ' O ' ' CB ' ' A' ' 42' ' ' SER . 16.6 mt -93.43 162.91 26.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.707 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.6 Cg_endo -74.94 163.92 34.47 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.458 1.768 . . . . 0.0 111.041 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.533 ' HG2' HG22 ' A' ' 38' ' ' ILE . 3.0 mtpm? -68.19 -50.95 50.96 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.445 1.09 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.563 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.6 p-80 -49.49 -42.19 42.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.581 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.3 m -61.03 -58.6 7.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.372 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.707 HD12 ' O ' ' A' ' 48' ' ' PRO . 3.8 mt -57.38 -49.55 79.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.411 HG12 HD13 ' A' ' 38' ' ' ILE . 85.1 mt -58.02 -58.19 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.11 -55.77 3.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.687 ' CZ ' HD21 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -53.95 -46.73 71.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.569 ' CE1' HG12 ' A' ' 26' ' ' ILE . 1.2 m-85 -57.67 -46.03 84.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -49.69 -39.64 37.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -63.08 -52.44 62.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -43.42 -62.77 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.337 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -50.49 -67.38 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -39.88 -58.33 1.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -47.72 -63.74 0.98 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.631 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 62.0 t -49.79 129.37 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.092 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.46 -64.02 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -115.47 128.06 55.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.57 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.63 -58.06 1.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.019 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -174.95 -85.36 0.06 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 98.07 1.13 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.493 1.786 . . . . 0.0 111.033 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.4 m -72.34 158.36 35.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.953 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.58 162.2 1.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.023 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 -179.955 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.92 127.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.763 . . . . 0.0 110.038 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.76 157.88 17.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.018 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.67 131.14 2.97 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.84 -57.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 0.777 . . . . 0.0 109.988 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.58 133.39 16.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.99 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.11 76.94 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.533 1.146 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -56.95 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.57 156.92 14.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.87 148.24 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.024 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -92.73 93.03 8.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.268 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.9 p 38.84 72.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.386 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -126.43 100.73 6.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.559 HG21 ' N ' ' A' ' 19' ' ' LEU . 5.1 mt -120.27 127.27 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.594 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 3.8 m -42.72 -44.31 4.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.011 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.594 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 156.14 -69.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.554 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.1 mt-10 -36.69 -82.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.641 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -28.45 -49.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.765 ' O ' HD13 ' A' ' 22' ' ' LEU . 1.7 tp -64.05 -74.7 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 16' ' ' LEU . . . -40.45 -27.74 0.17 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.54 1.15 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.42 ' N ' ' C ' ' A' ' 19' ' ' LEU . 48.5 mt -66.62 -65.94 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.834 HD22 ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -68.97 -18.57 64.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.173 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.624 ' N ' HD13 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -73.76 -35.01 64.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.105 . . . . 0.0 110.292 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.2 t -69.73 -32.22 70.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 110.067 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.693 ' CE2' HG11 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -75.75 -27.36 58.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.595 HD11 ' CZ ' ' A' ' 56' ' ' PHE . 16.9 mt -67.94 -40.49 83.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -78.56 -15.01 59.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.167 . . . . 0.0 109.591 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -89.02 -48.36 7.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.693 HG11 ' CE2' ' A' ' 25' ' ' PHE . 2.4 m -86.18 -49.61 15.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.488 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 135.53 -139.19 10.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.409 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 16.5 mt -129.46 55.09 1.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.423 ' N ' ' HD3' ' A' ' 33' ' ' PRO . 84.9 m-85 -160.04 62.57 1.87 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.558 1.161 . . . . 0.0 110.972 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.565 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.2 Cg_endo -75.01 176.11 10.35 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.507 1.793 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.78 164.53 21.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -47.52 -23.84 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.9 -52.34 9.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.97 -44.52 87.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.56 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.8 mt -60.17 -44.33 95.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.22 -41.3 71.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.616 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.3 m -66.18 -35.45 80.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.381 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.627 HD22 ' HB2' ' A' ' 22' ' ' LEU . 31.4 mt -72.89 -34.32 66.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.667 ' HA ' HD11 ' A' ' 52' ' ' ILE . 1.3 t -77.63 -17.22 57.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.63 -65.91 0.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -42.12 -40.85 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.641 HD22 ' HA ' ' A' ' 18' ' ' ALA . 8.0 mt -95.42 -26.86 15.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.353 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.479 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 7.0 t0 80.48 19.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.504 ' O ' ' CB ' ' A' ' 42' ' ' SER . 14.8 mt -93.08 163.63 24.57 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.565 ' HB2' ' CE1' ' A' ' 50' ' ' HIS . 18.4 Cg_endo -74.95 161.39 38.96 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.509 1.794 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.56 ' HG2' HG22 ' A' ' 38' ' ' ILE . 12.3 mttt -65.01 -52.18 57.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.8 p-80 -49.21 -47.62 46.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.605 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -53.53 -53.67 48.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.41 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.667 HD11 ' HA ' ' A' ' 42' ' ' SER . 3.8 mt -64.37 -46.31 93.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 58.9 mt -56.37 -64.69 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.79 -60.3 1.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.593 ' HE2' HD21 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -45.11 -53.05 8.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 111.03 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.595 ' CZ ' HD11 ' A' ' 26' ' ' ILE . 1.2 m-85 -54.2 -52.52 60.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -41.32 -53.95 3.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -57.92 -41.45 82.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -56.54 -45.79 80.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.75 -63.49 1.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -37.91 -54.61 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -43.78 -59.71 2.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.572 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 48.2 t -58.59 113.17 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.2 mtpt -144.93 144.69 31.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.447 ' H ' ' CD2' ' A' ' 65' ' ' HIS . 0.5 OUTLIER -98.87 72.68 1.95 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.607 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.61 158.02 2.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.005 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -145.95 -84.7 0.06 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -50.43 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.518 1.799 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.62 130.56 43.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.046 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.17 -58.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.513 1.133 . . . . 0.0 110.948 -179.959 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.86 127.48 13.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 110.024 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 p -177.49 168.38 2.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 110.015 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.9 163.24 25.29 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.05 146.6 15.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 0.729 . . . . 0.0 109.983 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.0 p -178.23 137.86 0.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 110.014 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.97 157.68 16.19 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 179.65 5.89 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.799 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.4 90.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.255 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.07 116.15 30.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -169.11 151.32 4.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.712 ' O ' HD21 ' A' ' 47' ' ' LEU . 1.4 t -56.44 -27.86 57.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.409 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.51 160.56 13.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.623 HG21 HD22 ' A' ' 19' ' ' LEU . 7.7 mt -55.36 -54.97 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.155 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.43 -65.98 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.007 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 19' ' ' LEU . 0.6 OUTLIER -177.86 -73.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.272 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.509 ' O ' ' C ' ' A' ' 18' ' ' ALA . 10.4 tt0 -32.25 -81.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.757 ' HB1' HD13 ' A' ' 45' ' ' LEU . . . -31.74 -49.52 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.678 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 1.1 tp -41.76 -74.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 23' ' ' GLN . . . -43.98 -54.36 6.08 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.474 1.109 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' GLY . 41.2 mt -40.51 -47.13 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.5 0.765 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.758 ' HB3' HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -80.94 -33.76 33.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 20' ' ' GLY . 0.2 OUTLIER -59.74 -40.52 88.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.346 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.0 t -59.42 -41.14 88.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -67.56 -29.6 69.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 110.974 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.565 HG12 ' CE1' ' A' ' 56' ' ' PHE . 86.3 mt -68.68 -42.0 82.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.21 -12.15 60.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.628 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.89 -52.53 4.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.58 HG11 ' CE2' ' A' ' 25' ' ' PHE . 2.9 m -81.44 -48.45 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.525 ' O ' HG23 ' A' ' 26' ' ' ILE . . . 132.29 -107.53 0.72 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.434 ' CD1' HG11 ' A' ' 63' ' ' VAL . 39.6 mt -147.75 40.59 1.0 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -142.39 72.58 21.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.568 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.01 133.12 16.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 111.025 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -94.92 153.66 17.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -42.29 -27.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.26 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -76.74 -46.54 24.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.566 ' HB1' ' CE2' ' A' ' 25' ' ' PHE . . . -62.5 -42.83 99.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.562 HG22 ' HG2' ' A' ' 49' ' ' LYS . 2.9 mt -61.87 -41.09 89.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -36.79 76.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.627 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.5 m -72.45 -33.91 67.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.387 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.464 HD22 ' HB2' ' A' ' 22' ' ' LEU . 85.9 mt -74.47 -36.34 63.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.708 ' HA ' HD11 ' A' ' 52' ' ' ILE . 1.6 t -73.85 -16.8 61.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.28 -67.36 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -41.04 -44.87 2.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.256 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.758 HD11 ' HB3' ' A' ' 22' ' ' LEU . 12.5 mt -90.78 -29.64 17.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 3.8 t0 82.05 24.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.712 HD21 ' O ' ' A' ' 12' ' ' THR . 15.0 mt -97.7 162.85 20.98 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.64 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.3 Cg_endo -75.07 159.71 40.78 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.466 1.771 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.562 ' HG2' HG22 ' A' ' 38' ' ' ILE . 8.8 mtpt -63.68 -52.88 58.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.557 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 2.2 p-80 -49.02 -47.55 44.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.635 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -54.99 -60.32 3.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 110.403 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.708 HD11 ' HA ' ' A' ' 42' ' ' SER . 4.6 mt -53.19 -48.05 55.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.559 HG22 HE21 ' A' ' 57' ' ' GLN . 87.9 mt -57.86 -58.45 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -43.46 -65.49 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.678 ' CZ ' HD11 ' A' ' 19' ' ' LEU . 2.7 t80 -40.96 -52.87 3.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.568 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 1.1 m-85 -54.39 -53.94 47.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.937 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.559 HE21 HG22 ' A' ' 53' ' ' ILE . 67.0 mt-30 -39.46 -40.94 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 110.281 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -64.65 -50.79 65.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.6 OUTLIER -45.82 -53.86 8.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -54.26 -64.62 0.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -40.23 -50.03 2.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -53.64 -76.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.597 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.434 HG11 ' CD1' ' A' ' 31' ' ' LEU . 7.2 p -52.26 151.81 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -126.55 -62.15 1.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -116.98 -65.58 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 109.586 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 69.9 -68.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.977 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -135.66 97.76 0.28 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.525 1.14 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 98.18 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.463 1.77 . . . . 0.0 111.031 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 89.4 p -135.8 94.59 3.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.016 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.8 t -74.02 85.71 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.997 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.127 . . . . 0.0 110.946 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.04 166.34 33.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 110.005 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.2 t -135.24 -58.31 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.66 -175.91 51.23 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.459 1.099 . . . . 0.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.45 149.43 21.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 0.761 . . . . 0.0 110.006 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.4 p -117.01 93.37 4.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.017 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.81 86.66 0.18 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.134 . . . . 0.0 110.966 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 107.49 2.5 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.479 1.779 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.47 -52.89 1.81 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -80.98 -55.04 5.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.979 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 66.14 -76.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 10' ' ' SER . 17.0 p -127.06 86.21 2.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.362 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.87 41.66 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.587 HG21 ' N ' ' A' ' 19' ' ' LEU . 5.0 mp -112.91 126.39 70.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.562 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -39.44 -44.79 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.009 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.562 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 158.51 -73.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.535 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.9 mt-10 -35.18 -82.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.647 ' HA ' HD22 ' A' ' 45' ' ' LEU . . . -29.09 -45.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.74 ' O ' HD13 ' A' ' 22' ' ' LEU . 0.9 OUTLIER -60.7 -77.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -40.91 -27.11 0.17 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.447 1.092 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 19' ' ' LEU . 36.9 mt -67.81 -64.35 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.859 HD22 ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -71.08 -18.47 62.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.63 ' N ' HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -74.86 -38.13 62.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.7 t -66.14 -33.36 75.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.007 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.776 ' CE2' HG11 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -74.29 -27.56 60.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 111.023 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.531 HD11 ' CZ ' ' A' ' 56' ' ' PHE . 31.2 mt -67.47 -42.1 86.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -77.38 -14.54 59.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.606 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.86 -50.17 6.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.776 HG11 ' CE2' ' A' ' 25' ' ' PHE . 2.2 m -84.02 -48.81 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.478 ' N ' ' CG2' ' A' ' 29' ' ' VAL . . . 135.51 -143.73 15.39 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.679 HD13 HG11 ' A' ' 63' ' ' VAL . 12.0 mt -126.51 56.07 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.488 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 78.7 m-85 -162.78 63.15 1.33 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.569 ' HG3' ' CE1' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -74.98 173.05 15.18 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.521 1.8 . . . . 0.0 110.953 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.404 ' C ' ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -123.39 162.18 23.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -45.81 -25.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.33 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -76.21 -49.35 17.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.36 -44.37 97.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.596 HG22 ' HG2' ' A' ' 49' ' ' LYS . 3.0 mt -59.64 -44.61 93.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.03 -42.9 73.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.641 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.8 m -64.54 -35.65 81.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.374 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.683 HD22 ' HB2' ' A' ' 22' ' ' LEU . 35.3 mt -72.26 -35.78 68.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.686 ' HA ' HD11 ' A' ' 52' ' ' ILE . 1.5 t -75.46 -17.0 60.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -97.25 -66.56 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -42.14 -40.81 2.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.67 HD11 ' HB3' ' A' ' 22' ' ' LEU . 9.2 mt -94.68 -28.75 15.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 3.2 t0 81.79 20.15 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.501 ' O ' ' CB ' ' A' ' 42' ' ' SER . 13.3 mt -95.4 163.47 21.5 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.65 ' O ' HD12 ' A' ' 52' ' ' ILE . 18.3 Cg_endo -74.97 165.77 30.64 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.768 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.596 ' HG2' HG22 ' A' ' 38' ' ' ILE . 13.8 mtpt -69.77 -50.03 47.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.569 ' CE1' ' HB2' ' A' ' 48' ' ' PRO . 1.3 p-80 -49.83 -47.21 51.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.601 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.42 HG21 HD22 ' A' ' 47' ' ' LEU . 2.1 m -57.18 -54.23 49.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.365 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.686 HD11 ' HA ' ' A' ' 42' ' ' SER . 5.2 mt -60.68 -47.72 91.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 56' ' ' PHE . 79.1 mt -57.54 -60.45 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -42.14 -59.6 1.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.652 ' CZ ' HD21 ' A' ' 19' ' ' LEU . 1.4 t80 -52.16 -33.98 42.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.569 ' CE1' ' HG3' ' A' ' 33' ' ' PRO . 0.6 OUTLIER -76.23 -38.54 56.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -59.16 -26.51 64.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -76.29 -44.13 38.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -48.84 -45.4 40.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.51 -67.37 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.087 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -37.96 -42.12 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -63.95 -81.11 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.568 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.679 HG11 HD13 ' A' ' 31' ' ' LEU . 8.8 p -44.43 149.31 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.69 -66.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -59.26 153.11 19.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.615 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.6 m 58.04 158.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -146.67 153.95 25.67 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 56.36 4.23 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.474 1.776 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.5 m -158.81 111.0 2.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.018 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.8 m -72.96 -55.92 5.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.041 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.476 1.11 . . . . 0.0 110.978 -179.996 . . . . . . . . 0 0 . 1 stop_ save_