data_1uhw_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 1uhw _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 ' 8' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 9' ' ' GLY . 4.8 mp . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -35.53 -71.87 0.15 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.27 -52.58 7.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 0.782 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.464 HD23 ' CD1' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -53.11 -56.13 18.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.578 ' CD2' ' CD1' ' A' ' 71' ' ' TYR . 22.4 t80 -52.97 -53.7 45.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 48.8 mt -43.79 -35.77 2.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.5 OUTLIER -72.31 -51.55 20.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.002 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 8.1 mtt -44.18 -29.59 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.96 -44.5 95.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.485 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.5 t0 -55.0 114.6 7.3 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -2.05 12.03 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.478 1.778 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -118.1 -54.46 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -94.43 13.36 24.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.485 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -137.81 -155.09 6.75 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.442 1.089 . . . . 0.0 111.037 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.52 HG13 ' CG ' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -70.63 156.41 7.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 0.75 . . . . 0.0 109.267 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -88.76 -175.34 4.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -149.44 106.34 3.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 110.326 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.81 171.73 7.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -110.43 102.73 11.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.281 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.2 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 79.4 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -126.98 101.43 6.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -87.44 156.86 19.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 49.37 53.09 13.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.615 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.8 m -125.98 163.44 22.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 108.337 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.481 HD11 ' CZ ' ' A' ' 101' ' ' PHE . 1.7 mt -119.1 -150.87 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.3 p -152.78 135.29 15.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.375 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -43.95 -52.32 6.84 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.546 1.153 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -73.65 -46.16 48.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 110.05 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 45' ' ' ASP . . . -52.14 -47.94 53.98 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.6 t -48.16 -39.68 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.533 ' CG2' ' HD2' ' A' ' 56' ' ' ARG . 10.5 mt -78.7 -29.23 14.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 42' ' ' GLY . 7.9 t0 -59.95 -41.39 91.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.52 ' CG ' HG13 ' A' ' 22' ' ' ILE . 84.0 t90 -66.87 -34.31 77.52 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.438 ' CD1' ' HA ' ' A' ' 44' ' ' ILE . 21.2 mt -65.09 -55.54 18.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 72.1 t -66.57 -41.49 88.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.4 m -48.81 -49.75 37.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.944 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.421 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 7.4 m-80 -82.35 -18.86 40.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 4.3 mmtt 82.51 55.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.2 mt -84.98 -20.44 30.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 2.6 m -134.54 -173.41 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -93.2 -29.16 15.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -153.43 173.24 15.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.093 . . . . 0.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.533 ' HD2' ' CG2' ' A' ' 44' ' ' ILE . 0.4 OUTLIER -60.34 -40.64 91.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.282 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -48.01 -65.05 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.466 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 1.7 mt-10 -38.58 -48.4 1.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.35 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -57.95 -43.71 94.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.6 OUTLIER -48.72 -45.97 40.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 0.721 . . . . 0.0 109.265 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 43.3 mtm -67.41 -54.75 17.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 23.9 mm -54.23 -52.08 41.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 91' ' ' PHE . 15.1 m -39.83 -49.57 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.975 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.56 -52.19 49.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.52 -40.45 59.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.023 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.464 ' CD1' HD23 ' A' ' 11' ' ' LEU . 27.3 mt -64.13 -56.49 14.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 90' ' ' PRO . 0.6 OUTLIER -56.3 -56.6 19.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -37.25 -69.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.981 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -39.67 -39.65 0.79 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 115.49 15.38 7.6 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.464 1.103 . . . . 0.0 110.974 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.578 ' CD1' ' CD2' ' A' ' 12' ' ' TYR . 23.7 m-85 -72.4 -16.12 61.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.757 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.8 mt -135.2 122.37 21.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.433 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . 17.5 mm-40 -98.08 137.3 20.84 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 145.28 31.23 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.802 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -149.59 114.56 5.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 120.25 -92.61 0.52 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' SER . 0.3 OUTLIER -165.35 -172.59 2.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.751 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.0 mp 65.26 -77.15 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.45 ' HB2' ' CE1' ' A' ' 99' ' ' TYR . 78.9 p -45.36 -48.11 13.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.67 -59.26 4.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -48.8 -34.05 11.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.46 ' HA ' ' CG1' ' A' ' 86' ' ' ILE . . . -69.7 -58.94 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -49.6 -25.37 2.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -55.63 -63.16 1.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 166.7 50.18 0.03 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.46 ' CG1' ' HA ' ' A' ' 82' ' ' ALA . 3.4 mm -67.5 -75.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 0.749 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.412 ' N ' ' CG2' ' A' ' 86' ' ' ILE . . . -137.29 -145.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.95 8.75 36.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -133.53 106.58 11.96 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.463 ' HB2' ' CD2' ' A' ' 67' ' ' LEU . 18.4 Cg_endo -74.99 -31.94 5.81 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.48 1.779 . . . . 0.0 111.024 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 63' ' ' SER . 3.6 t80 -77.95 153.86 32.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 21.4 mt -134.44 113.29 11.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -73.33 67.68 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.14 147.14 62.66 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -11.33 21.51 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.454 1.766 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.515 ' O ' ' CZ ' ' A' ' 98' ' ' PHE . 18.1 m-20 -79.74 -46.53 16.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.98 143.59 56.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.515 ' CZ ' ' O ' ' A' ' 96' ' ' ASP . 16.6 m-85 -133.39 149.38 51.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.45 ' CE1' ' HB2' ' A' ' 79' ' ' SER . 94.0 m-85 -140.68 163.77 31.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.433 ' CE1' ' HB2' ' A' ' 73' ' ' GLN . 26.5 p90 -156.46 150.05 24.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.481 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 17.5 m-85 -70.96 142.69 88.08 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 111.036 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 72.17 4.75 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.541 1.811 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -176.75 -40.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.043 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 11' ' ' LEU . 78.9 mt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -35.81 -55.48 1.09 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.4 -49.87 6.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.763 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 8' ' ' LEU . 41.6 mt -55.09 -62.73 1.47 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.526 ' CG ' ' CD1' ' A' ' 71' ' ' TYR . 31.0 t80 -46.77 -43.41 18.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 78.7 mt -59.77 -47.19 86.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.82 -50.08 53.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.991 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 11.1 mtp -48.76 -22.17 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.428 ' CG ' ' O ' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -68.86 -43.41 75.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.454 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 2.2 t0 -56.64 116.71 13.78 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -2.15 12.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.545 1.813 . . . . 0.0 110.999 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -119.05 -54.01 2.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 110.328 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -94.18 14.8 18.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.454 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -138.53 -154.31 6.43 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.527 HG13 ' CG ' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -68.54 155.19 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.778 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.7 178.21 8.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -146.44 95.73 2.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.92 153.65 20.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.455 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 7.6 p-10 -101.54 125.41 48.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.455 ' CD1' ' C ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.413 HG12 ' ND2' ' A' ' 35' ' ' ASN . 76.1 t . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -70.97 104.16 2.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.939 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.413 ' ND2' HG12 ' A' ' 33' ' ' VAL . 1.9 m-80 -99.92 142.25 31.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 60.46 50.95 5.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.54 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 66.9 m -121.44 166.37 14.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 108.279 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.514 HD12 ' CZ ' ' A' ' 101' ' ' PHE . 1.0 OUTLIER -118.41 -150.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.428 ' CG2' ' O ' ' A' ' 38' ' ' LEU . 2.3 p -157.4 137.03 12.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.428 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -45.58 -44.31 11.67 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 110.948 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.8 t -75.45 -53.25 8.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 109.954 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -50.8 -44.5 48.8 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 111.055 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.9 t -51.4 -42.71 28.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.538 ' CG2' ' HD2' ' A' ' 56' ' ' ARG . 17.5 mt -78.61 -27.11 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -63.84 -39.42 94.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.527 ' CG ' HG13 ' A' ' 22' ' ' ILE . 85.9 t90 -67.4 -34.83 78.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 107.989 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.464 HD23 ' CD1' ' A' ' 52' ' ' LEU . 81.2 mt -64.87 -53.9 39.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.2 t -67.77 -43.23 86.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.9 m -46.7 -50.15 18.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.971 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.421 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 8.8 m-80 -82.16 -20.17 38.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 4.4 mmtt 82.72 53.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.464 ' CD1' HD23 ' A' ' 47' ' ' LEU . 12.0 mt -82.94 -20.83 34.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 2.8 m -132.15 -172.13 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.3 mtt-85 -95.87 -23.05 17.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.334 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.442 ' N ' ' ND2' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -157.95 176.23 12.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.252 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.538 ' HD2' ' CG2' ' A' ' 44' ' ' ILE . 0.5 OUTLIER -63.98 -40.12 95.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.243 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.439 ' CB ' ' OD1' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -48.45 -66.64 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.102 . . . . 0.0 110.335 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.477 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 1.8 mt-10 -38.29 -49.34 1.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -57.76 -49.2 76.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -44.18 -50.15 8.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 32.0 mtm -63.97 -57.08 10.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 65' ' ' SER . 11.6 mm -51.28 -55.27 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.547 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 5.7 m -37.3 -51.23 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.971 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -50.78 -50.78 55.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.255 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -49.6 -42.77 45.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.97 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.424 HD22 ' N ' ' A' ' 66' ' ' LEU . 2.2 mm? -62.49 -56.76 15.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.242 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.475 ' CD2' ' HB2' ' A' ' 90' ' ' PRO . 0.4 OUTLIER -53.55 -57.81 9.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.1 OUTLIER -42.69 -64.67 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.044 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -40.52 -29.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 68' ' ' SER . . . 102.83 28.18 6.35 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.526 ' CD1' ' CG ' ' A' ' 12' ' ' TYR . 26.3 m-85 -89.27 -20.3 24.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 0.775 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.5 mt -132.95 118.79 19.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.412 ' HB2' ' CZ ' ' A' ' 100' ' ' TYR . 92.1 mm-40 -91.93 144.16 28.84 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 136.82 20.83 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.542 1.812 . . . . 0.0 110.958 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -125.65 72.66 1.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 149.23 164.01 11.34 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.457 1.098 . . . . 0.0 110.981 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.86 -46.45 81.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 0.792 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 tt -47.39 -62.09 1.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.414 ' HB2' ' CE1' ' A' ' 99' ' ' TYR . 88.0 p -55.33 -53.84 51.06 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.564 1.165 . . . . 0.0 109.985 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -40.77 -68.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -43.8 -47.65 8.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.32 -56.15 6.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.81 55.18 2.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -137.46 -61.15 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.263 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -179.71 38.06 0.07 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.4 mm -71.04 -64.97 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 0.0 109.324 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -152.95 -143.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.79 9.85 40.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -134.23 108.16 11.35 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.475 ' HB2' ' CD2' ' A' ' 67' ' ' LEU . 18.5 Cg_endo -74.95 -37.97 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.789 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.547 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 2.7 t80 -76.37 140.78 41.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 94' ' ' SER . 45.2 mt -123.07 112.87 18.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -68.61 68.1 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 92' ' ' LEU . 1.1 t -135.4 147.02 60.22 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.999 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -11.86 21.39 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.797 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.558 ' O ' ' CE2' ' A' ' 98' ' ' PHE . 2.9 m-20 -80.93 -44.26 18.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.01 122.04 16.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.558 ' CE2' ' O ' ' A' ' 96' ' ' ASP . 78.3 m-85 -112.61 151.39 30.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.459 ' CE1' HD12 ' A' ' 67' ' ' LEU . 64.2 m-85 -146.51 168.01 22.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.412 ' CZ ' ' HB2' ' A' ' 73' ' ' GLN . 27.8 p90 -159.19 161.95 36.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.514 ' CZ ' HD12 ' A' ' 38' ' ' LEU . 18.7 m-85 -80.81 142.82 53.01 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.952 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 70.15 5.38 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.462 1.769 . . . . 0.0 111.031 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -176.07 -39.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.951 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.465 ' CD2' HD21 ' A' ' 66' ' ' LEU . 57.8 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -33.0 -69.16 0.16 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.53 -44.7 46.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 109.263 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.518 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -59.17 -53.51 57.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.609 ' CD2' ' CD1' ' A' ' 71' ' ' TYR . 17.9 t80 -53.17 -41.87 65.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 31.4 mt -57.72 -36.88 72.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -47.5 73.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 109.997 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.7 mtt -49.79 -38.85 36.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.95 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.67 -45.98 58.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.47 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 2.5 t0 -54.22 113.23 4.8 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -0.67 10.26 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.532 1.806 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -119.25 -54.61 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -94.13 12.4 26.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.47 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -135.83 -151.64 6.2 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.538 HG13 ' CG ' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -71.25 153.29 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.756 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.07 146.74 24.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -124.19 105.71 9.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -98.82 162.83 12.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -87.54 86.65 7.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 mt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.9 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -96.26 107.51 19.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.532 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 6.5 m-80 -94.58 35.96 1.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.532 ' CD2' ' O ' ' A' ' 35' ' ' ASN . 6.6 m-70 -179.36 47.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.554 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -120.33 170.08 9.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 108.308 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.572 HD11 ' CZ ' ' A' ' 101' ' ' PHE . 3.6 mt -119.85 -148.64 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 38' ' ' LEU . 5.3 p -158.82 127.54 5.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.364 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -38.67 -45.8 2.06 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.85 -57.37 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.981 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -44.21 -45.97 8.11 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.119 . . . . 0.0 110.958 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 69.4 t -52.37 -49.31 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 43.1 mt -73.1 -21.85 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.438 ' O ' ' CB ' ' A' ' 49' ' ' SER . 3.7 t70 -72.49 -39.79 67.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.538 ' CG ' HG13 ' A' ' 22' ' ' ILE . 87.0 t90 -68.15 -33.48 74.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 108.016 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.477 HD21 ' CD1' ' A' ' 52' ' ' LEU . 86.3 mt -67.24 -53.39 30.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.4 ' O ' ' CE ' ' A' ' 51' ' ' LYS . 78.7 t -68.52 -39.89 81.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 45' ' ' ASP . 3.0 m -50.89 -52.78 38.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.959 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -82.16 -16.36 50.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.4 ' CE ' ' O ' ' A' ' 48' ' ' VAL . 3.2 mmtt 77.97 69.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.477 ' CD1' HD21 ' A' ' 47' ' ' LEU . 15.3 mt -100.14 -14.88 18.36 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.414 1.071 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.417 ' HB ' ' CB ' ' A' ' 58' ' ' GLU . 5.0 m -133.8 -172.47 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.6 mtt180 -88.3 -24.19 23.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.699 ' N ' HD21 ' A' ' 55' ' ' ASN . 0.0 OUTLIER -176.12 167.53 2.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.343 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 -43.58 -46.68 7.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -43.82 -63.26 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.417 ' CB ' ' HB ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -49.17 -49.2 43.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.14 -48.17 59.4 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.537 1.148 . . . . 0.0 111.057 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.95 -51.53 23.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 0.771 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 15.9 mtm -62.59 -56.94 13.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 111.05 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 63' ' ' SER . 43.9 mm -48.86 -55.52 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.556 ' HB3' ' CD2' ' A' ' 91' ' ' PHE . 2.9 m -37.83 -54.86 1.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.966 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -46.76 -52.42 14.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.1 -42.75 19.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.481 ' CD1' HD13 ' A' ' 11' ' ' LEU . 1.6 mm? -65.6 -53.44 41.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.482 HD12 ' CE1' ' A' ' 99' ' ' TYR . 1.7 tp -54.66 -51.53 65.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.26 -63.88 0.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 110.016 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -41.47 -37.87 1.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 111.15 20.24 7.21 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.609 ' CD1' ' CD2' ' A' ' 12' ' ' TYR . 32.1 m-85 -79.15 -19.63 50.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 0.751 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.5 mt -129.33 121.34 27.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.54 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . 65.2 mm-40 -97.1 143.7 26.58 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.23 4.53 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.515 1.797 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.417 ' HB1' ' CD1' ' A' ' 100' ' ' TYR . . . -107.53 98.14 7.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 136.55 -136.12 8.17 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -126.75 -51.85 1.46 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.753 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.43 -31.6 55.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 52.0 p -76.08 -23.45 55.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.021 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -76.02 -24.71 55.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -82.16 -17.77 45.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.1 -42.96 72.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.37 30.06 2.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.335 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.63 -63.48 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.165 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 158.6 42.74 0.02 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 13.8 mt -60.91 -80.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 0.77 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -133.93 -140.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.26 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.93 7.89 42.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -135.65 106.51 9.91 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.422 ' HB2' ' CD2' ' A' ' 67' ' ' LEU . 18.5 Cg_endo -74.9 -41.02 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.535 1.808 . . . . 0.0 111.041 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.556 ' CD2' ' HB3' ' A' ' 63' ' ' SER . 3.9 t80 -62.54 149.18 43.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 94' ' ' SER . 18.1 mt -125.32 111.29 15.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -69.6 63.99 0.18 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.355 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 92' ' ' LEU . 1.6 t -134.77 145.37 54.5 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.995 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -4.23 15.1 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.51 ' O ' ' CE1' ' A' ' 98' ' ' PHE . 7.2 m-20 -86.0 -54.28 4.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -53.34 122.45 9.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.51 ' CE1' ' O ' ' A' ' 96' ' ' ASP . 25.3 m-85 -109.61 155.07 21.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.482 ' CE1' HD12 ' A' ' 67' ' ' LEU . 95.8 m-85 -153.96 162.87 40.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.54 ' CE1' ' HB2' ' A' ' 73' ' ' GLN . 15.3 p90 -150.88 161.86 41.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.572 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 10.6 m-85 -84.2 139.36 39.23 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 71.64 4.98 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.474 1.776 . . . . 0.0 111.01 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 176.77 -42.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.364 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.972 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 9' ' ' GLY . 9.2 mt . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -36.58 -73.13 0.13 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -42.79 -45.93 5.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 0.797 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.421 ' HG ' ' N ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -58.92 -56.44 22.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.59 ' CD2' ' CD1' ' A' ' 71' ' ' TYR . 21.7 t80 -50.94 -46.43 60.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.8 mt -50.74 -39.13 51.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.85 -48.23 63.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.991 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.1 mtt -45.96 -28.37 1.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 111.048 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.58 -45.9 88.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.493 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.3 t70 -53.74 113.64 5.2 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -1.46 11.24 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.532 1.806 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -118.29 -54.24 2.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.344 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -95.09 13.08 26.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.493 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -137.24 -154.54 6.69 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.511 HG13 ' CG ' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -76.07 151.89 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.764 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.08 161.08 14.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.491 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -132.34 121.46 23.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.294 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.31 170.66 7.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -96.06 84.97 3.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.153 . . . . 0.0 109.271 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.8 t . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -70.66 101.4 2.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -93.47 151.27 19.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.441 ' ND1' ' OE2' ' A' ' 24' ' ' GLU . 46.4 m-70 53.59 39.92 30.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 109.575 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.7 m -115.83 174.84 5.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 108.301 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.572 HD13 ' CZ ' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -127.52 -150.37 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.458 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 4.1 p -142.74 -168.51 2.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.414 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.97 -44.4 1.64 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 t -75.84 -52.78 9.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 0.755 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -48.26 -47.04 28.05 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.438 1.086 . . . . 0.0 110.963 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.458 ' CG2' ' O ' ' A' ' 39' ' ' THR . 42.8 t -45.9 -41.53 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.526 ' CG2' ' HD2' ' A' ' 56' ' ' ARG . 12.9 mt -77.34 -42.12 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -51.5 -40.11 58.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.511 ' CG ' HG13 ' A' ' 22' ' ' ILE . 78.7 t90 -65.39 -40.18 93.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 107.989 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.465 HD23 ' CD1' ' A' ' 52' ' ' LEU . 13.1 mt -59.82 -46.91 87.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.2 t -71.93 -44.31 67.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.53 -48.78 38.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.987 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.409 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 10.6 m-80 -81.02 -19.9 42.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 4.9 mmtt 81.04 68.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.465 ' CD1' HD23 ' A' ' 47' ' ' LEU . 13.8 mt -102.48 -21.4 14.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.9 m -131.56 -171.79 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -97.92 -23.4 15.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.284 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.618 ' N ' HD21 ' A' ' 55' ' ' ASN . 0.1 OUTLIER -159.5 174.89 13.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.526 ' HD2' ' CG2' ' A' ' 44' ' ' ILE . 0.4 OUTLIER -61.41 -41.89 97.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.324 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.496 ' CB ' ' OD1' ' A' ' 55' ' ' ASN . 5.2 tm0? -48.0 -67.34 0.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 57' ' ' GLN . 1.3 tt0 -38.13 -50.1 1.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.77 -44.58 80.63 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.9 OUTLIER -48.96 -55.4 11.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.757 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 29.6 mtm -56.38 -53.58 55.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 63' ' ' SER . 27.0 mm -55.58 -52.06 51.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.573 ' HB3' ' CD2' ' A' ' 91' ' ' PHE . 43.0 m -39.27 -56.32 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.45 -48.82 26.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.58 -37.74 63.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.5 mt -69.41 -54.52 14.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.401 ' CD2' ' HB2' ' A' ' 90' ' ' PRO . 0.4 OUTLIER -56.2 -57.42 12.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -42.1 -65.44 0.46 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -39.04 -38.91 0.5 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.426 1.079 . . . . 0.0 110.293 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 113.84 22.41 5.35 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.59 ' CD1' ' CD2' ' A' ' 12' ' ' TYR . 33.4 m-85 -82.24 -14.68 55.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 0.782 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.427 HD22 ' CD1' ' A' ' 101' ' ' PHE . 13.9 mt -137.43 117.82 13.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 49.4 mm-40 -88.67 138.34 29.82 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 142.7 28.1 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.483 1.78 . . . . 0.0 110.948 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -136.83 113.33 10.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 128.92 -120.7 3.35 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.138 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.88 -48.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 0.738 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.465 ' CD2' HD22 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -47.19 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.567 ' HB3' ' CE1' ' A' ' 99' ' ' TYR . 1.3 m -47.52 -36.16 9.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -59.11 -47.26 85.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -57.69 -17.89 17.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.481 ' CB ' HD11 ' A' ' 92' ' ' LEU . . . -72.44 -56.83 4.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.1 -14.0 32.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -53.59 -64.88 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 157.82 43.74 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.477 1.11 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 24.0 mt -64.91 -72.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.481 0.754 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -145.29 -138.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.89 11.25 37.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -129.37 85.31 59.52 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.457 ' O ' ' CD1' ' A' ' 92' ' ' LEU . 18.5 Cg_endo -74.96 -21.05 16.35 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.499 1.789 . . . . 0.0 111.009 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' A' ' 63' ' ' SER . 6.0 t80 -84.13 131.25 34.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.584 ' CD1' ' N ' ' A' ' 92' ' ' LEU . 1.0 OUTLIER -106.04 108.79 20.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.431 ' OD1' ' NE ' ' A' ' 56' ' ' ARG . 6.3 t0 -69.39 67.42 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -145.02 152.42 51.37 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.97 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -8.34 19.92 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.499 1.789 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.44 ' O ' ' CE1' ' A' ' 98' ' ' PHE . 4.7 m-20 -76.94 -55.8 5.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.07 129.19 37.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.118 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.44 ' CE1' ' O ' ' A' ' 96' ' ' ASP . 25.0 m-85 -115.9 137.5 52.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 111.037 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 79' ' ' SER . 32.8 m-85 -135.96 158.1 45.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -152.2 147.93 26.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.572 ' CZ ' HD13 ' A' ' 38' ' ' LEU . 22.3 m-85 -66.96 150.26 97.99 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 73.73 4.23 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.477 1.777 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 p30 174.79 -42.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.006 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.452 ' CD2' HD23 ' A' ' 66' ' ' LEU . 65.3 mt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -38.59 -71.0 0.26 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.55 1.156 . . . . 0.0 110.992 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.55 -45.46 9.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.421 ' HG ' ' N ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -59.05 -56.12 26.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.604 ' CG ' ' CD1' ' A' ' 71' ' ' TYR . 22.2 t80 -50.94 -43.5 60.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.9 mt -54.69 -40.39 69.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.01 -51.01 64.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 101' ' ' PHE . 11.4 mtt -45.38 -25.04 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -67.78 -44.98 76.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.468 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.2 t70 -55.51 115.33 9.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -2.31 12.38 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.483 1.781 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -118.72 -54.25 2.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -93.59 13.56 21.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.468 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -138.63 -153.73 6.26 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.515 HG13 ' CG ' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -75.97 152.52 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 0.794 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.476 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -82.47 176.1 9.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.361 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -142.03 100.0 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.263 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.512 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -121.03 149.64 42.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.334 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -77.89 144.95 36.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.254 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.9 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -70.77 104.03 2.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -89.54 159.15 17.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.254 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 42.3 70.72 0.26 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.595 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.1 m -130.38 164.62 24.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 108.295 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.566 HD11 ' CZ ' ' A' ' 101' ' ' PHE . 0.3 OUTLIER -122.98 -155.45 0.65 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.506 ' CG2' ' O ' ' A' ' 38' ' ' LEU . 1.9 p -160.82 136.76 8.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 110.399 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.53 -25.74 35.99 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.438 ' O ' ' NH2' ' A' ' 56' ' ' ARG . 7.4 t -84.69 -38.01 20.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.36 -41.35 25.95 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.477 ' CG2' ' N ' ' A' ' 44' ' ' ILE . 17.4 m -55.53 -55.38 17.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 0.754 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.477 ' N ' ' CG2' ' A' ' 43' ' ' VAL . 79.8 mt -54.92 -41.62 59.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -56.27 -36.95 69.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.515 ' CG ' HG13 ' A' ' 22' ' ' ILE . 83.1 t90 -70.75 -34.91 72.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 107.981 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.458 HD22 ' CD1' ' A' ' 52' ' ' LEU . 67.8 mt -61.26 -51.53 68.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 41.3 t -69.08 -46.06 78.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.56 1.163 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.82 -52.37 8.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.985 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.432 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 14.6 m-80 -77.0 -21.99 53.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 5.2 mmtt 83.44 53.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.458 ' CD1' HD22 ' A' ' 47' ' ' LEU . 11.5 mt -83.92 -29.27 27.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.49 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 2.4 m -127.35 -175.5 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -97.03 -28.09 14.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.478 ' N ' ' ND2' ' A' ' 55' ' ' ASN . 0.2 OUTLIER -147.65 169.57 19.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.256 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.464 ' HG3' ' CG2' ' A' ' 44' ' ' ILE . 5.5 ttt-85 -60.32 -43.94 95.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.408 ' O ' ' HB3' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -46.43 -61.83 1.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.364 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.49 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 1.9 mt-10 -44.38 -45.01 8.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -57.73 -44.05 94.27 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.408 ' HB3' ' O ' ' A' ' 57' ' ' GLN . 4.7 tp -53.81 -63.89 1.0 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 0.758 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 28.2 mtm -48.59 -54.02 16.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.957 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 65' ' ' SER . 8.4 mm -52.84 -57.45 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.584 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 3.4 m -37.59 -48.45 1.02 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -48.79 -50.39 34.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.2 OUTLIER -55.08 -40.16 70.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.032 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.452 HD23 ' CD2' ' A' ' 8' ' ' LEU . 1.2 mm? -65.13 -56.26 13.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.574 HD13 ' CE1' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -54.21 -58.03 8.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -42.76 -64.62 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.005 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 68' ' ' SER . 53.1 mm-40 -38.62 -36.86 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 112.14 16.89 8.67 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.604 ' CD1' ' CG ' ' A' ' 12' ' ' TYR . 34.6 m-85 -75.71 -24.66 56.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 0.785 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.421 HD22 ' CD1' ' A' ' 101' ' ' PHE . 20.7 mt -130.84 114.82 15.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -91.53 137.8 25.64 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 148.53 35.49 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.472 1.775 . . . . 0.0 111.047 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.41 ' HB1' ' CE1' ' A' ' 100' ' ' TYR . . . -149.96 105.25 3.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 125.64 -122.97 4.74 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.488 1.118 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' SER . 0.3 OUTLIER -131.7 -172.9 2.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 0.787 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.6 mp 64.45 -77.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 82' ' ' ALA . 12.8 p -44.81 -67.26 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.437 ' C ' ' N ' ' A' ' 82' ' ' ALA . 2.6 ttpp -46.53 -65.7 0.52 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -40.25 -30.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 79' ' ' SER . . . -68.04 -63.79 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -45.14 -26.67 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 82' ' ' ALA . 1.2 t0 -58.35 -61.73 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 164.42 57.32 0.02 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.467 ' CG1' ' HA ' ' A' ' 82' ' ' ALA . 3.3 mm -75.36 -78.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.447 ' N ' ' CG2' ' A' ' 86' ' ' ILE . . . -132.5 -144.79 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.04 7.78 45.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -135.35 105.99 10.16 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.421 ' O ' ' CD1' ' A' ' 92' ' ' LEU . 18.3 Cg_endo -74.97 -24.6 12.72 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.779 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.584 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 1.5 t80 -86.64 129.93 34.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.563 ' CD1' ' N ' ' A' ' 92' ' ' LEU . 1.1 mp -107.98 107.64 18.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -67.46 69.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -147.0 152.41 43.68 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.015 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -9.39 20.81 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.529 1.805 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.66 -47.71 25.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.83 115.54 5.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -102.92 140.55 37.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.574 ' CE1' HD13 ' A' ' 67' ' ' LEU . 58.0 m-85 -139.64 150.5 45.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.41 ' CE1' ' HB1' ' A' ' 75' ' ' ALA . 30.9 p90 -142.89 142.88 31.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.566 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 32.6 m-85 -64.72 147.86 97.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 76.55 3.38 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.518 1.799 . . . . 0.0 110.961 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 172.15 -34.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.992 -179.956 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.507 ' O ' ' C ' ' A' ' 9' ' ' GLY . 6.0 mp . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.507 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -28.7 -69.45 0.07 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.48 1.113 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.22 -56.13 10.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 0.797 . . . . 0.0 109.335 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.542 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -51.06 -56.3 13.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.644 ' CD2' ' CE1' ' A' ' 71' ' ' TYR . 37.8 t80 -50.85 -52.24 43.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.4 mt -43.09 -40.75 3.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.61 -50.07 66.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.053 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 8.3 mtp -48.94 -30.04 5.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 111.048 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.98 -40.5 95.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.505 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 2.5 t0 -56.5 112.99 5.13 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -0.7 10.27 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.528 1.804 . . . . 0.0 111.044 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -118.03 -54.68 2.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.6 mtmm -97.76 16.12 21.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.505 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -139.62 -154.92 6.45 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.516 HG13 ' CG ' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -69.97 158.21 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 0.761 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -94.43 144.2 25.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -114.11 107.17 15.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.454 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 1.2 mm? -120.34 161.23 21.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -88.14 125.38 34.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.1 mt . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.552 ' CE1' ' HB2' ' A' ' 75' ' ' ALA . 48.5 m-85 -71.08 108.21 4.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.538 ' HB3' ' CD2' ' A' ' 36' ' ' HIS . 4.8 m-80 -82.68 149.64 27.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.538 ' CD2' ' HB3' ' A' ' 35' ' ' ASN . 3.2 m-70 39.92 55.59 2.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.61 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.61 170.38 7.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 108.33 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.558 HD13 ' CE1' ' A' ' 101' ' ' PHE . 1.1 mt -131.69 -149.17 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' A' ' 38' ' ' LEU . 2.7 p -159.94 127.99 4.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -37.91 -45.96 1.66 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 t -69.31 -59.07 3.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 0.0 110.015 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -48.06 -50.52 21.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.414 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 56.1 t -44.04 -45.48 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.489 0.758 . . . . 0.0 109.294 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.534 ' CG2' ' HD2' ' A' ' 56' ' ' ARG . 19.4 mt -73.46 -45.2 52.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -44.87 -45.86 10.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.551 ' CZ3' HD12 ' A' ' 52' ' ' LEU . 86.6 t90 -60.57 -47.85 84.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 107.999 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.467 HD21 ' CD1' ' A' ' 52' ' ' LEU . 15.5 mt -51.99 -56.9 11.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.7 t -62.16 -47.36 93.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.86 -52.05 12.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.017 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.421 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 9.5 m-80 -81.18 -19.84 42.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 47' ' ' LEU . 4.1 mmtt 81.67 62.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.551 HD12 ' CZ3' ' A' ' 46' ' ' TRP . 13.1 mt -95.47 -15.09 23.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.436 ' HB ' ' CB ' ' A' ' 58' ' ' GLU . 6.5 m -138.48 -175.01 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -82.3 -29.14 31.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.252 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -169.12 -178.02 3.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.534 ' HD2' ' CG2' ' A' ' 44' ' ' ILE . 0.5 OUTLIER -55.72 -38.28 69.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 58' ' ' GLU . 1.5 tm0? -52.27 -71.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 110.327 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.436 ' CB ' ' HB ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -38.26 -51.54 1.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -50.77 -50.11 38.6 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.442 1.089 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -47.52 -54.04 12.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 0.0 109.343 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 24.9 mtp -58.68 -52.92 63.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.2 mm -55.51 -49.7 71.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.562 ' HB3' ' CD2' ' A' ' 91' ' ' PHE . 5.1 m -41.27 -56.03 2.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.958 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -44.11 -46.49 8.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.0 -39.46 63.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.03 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.485 ' CD2' ' CD1' ' A' ' 11' ' ' LEU . 16.4 mt -67.62 -56.39 9.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.504 HD12 ' CE1' ' A' ' 99' ' ' TYR . 15.9 tp -52.02 -56.72 12.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -38.63 -67.42 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 110.041 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -42.24 -36.37 1.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.332 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 111.49 28.86 3.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.56 1.163 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.644 ' CE1' ' CD2' ' A' ' 12' ' ' TYR . 24.4 m-85 -83.82 -21.1 32.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.766 . . . . 0.0 111.003 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -121.95 121.79 37.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.575 ' CB ' ' CZ ' ' A' ' 100' ' ' TYR . 24.0 mm-40 -96.63 132.64 25.86 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 134.29 17.66 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.528 1.804 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.552 ' HB2' ' CE1' ' A' ' 34' ' ' PHE . . . -138.37 88.02 2.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 115.2 176.85 18.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 79' ' ' SER . 6.3 t0 -56.09 -176.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 0.798 . . . . 0.0 109.348 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.0 mp 64.13 -79.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.4 OUTLIER -48.03 -64.52 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.036 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.59 -64.05 0.57 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.451 ' O ' ' CB ' ' A' ' 84' ' ' ASP . 0.6 OUTLIER -51.68 -44.74 63.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 90' ' ' PRO . . . -42.95 -54.62 4.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.02 48.0 1.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.359 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.451 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 16.8 t70 -116.42 -65.1 1.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 170.89 38.76 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.438 1.086 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.463 ' CD1' ' HA ' ' A' ' 82' ' ' ALA . 11.9 mt -65.48 -78.06 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 0.758 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -136.77 -140.29 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.39 -17.01 25.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -107.78 103.13 48.35 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.471 ' O ' ' CB ' ' A' ' 82' ' ' ALA . 18.2 Cg_endo -75.06 -27.9 9.53 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.562 ' CD2' ' HB3' ' A' ' 63' ' ' SER . 1.8 t80 -79.26 140.25 37.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 94' ' ' SER . 44.5 mt -115.48 109.25 17.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.443 ' OD1' ' NE ' ' A' ' 56' ' ' ARG . 5.0 t70 -68.14 69.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -140.08 149.88 60.02 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.032 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -9.55 20.83 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.792 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.424 ' O ' ' CE1' ' A' ' 98' ' ' PHE . 0.8 OUTLIER -79.3 -66.31 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -42.34 119.94 1.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.424 ' CE1' ' O ' ' A' ' 96' ' ' ASP . 22.5 m-85 -107.52 144.95 33.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.504 ' CE1' HD12 ' A' ' 67' ' ' LEU . 26.5 m-85 -142.87 148.67 37.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.575 ' CZ ' ' CB ' ' A' ' 73' ' ' GLN . 35.1 p90 -138.01 144.33 41.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.558 ' CE1' HD13 ' A' ' 38' ' ' LEU . 14.2 m-85 -69.2 135.12 89.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 66.19 6.02 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.528 1.804 . . . . 0.0 111.03 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -179.86 -39.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.526 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.012 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 9' ' ' GLY . 5.8 mp . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -33.86 -72.94 0.09 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.01 -51.42 5.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 0.747 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.469 HD22 ' CD2' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -55.53 -56.34 21.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.494 ' CG ' ' CD1' ' A' ' 71' ' ' TYR . 34.3 t80 -52.14 -48.12 65.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.9 mt -48.45 -40.24 25.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.48 -48.96 63.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.4 mtt -48.27 -22.76 0.72 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.44 -42.7 74.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.47 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.7 t70 -56.32 114.77 8.31 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -1.13 10.84 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -119.27 -54.1 2.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.27 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -95.58 15.27 20.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.47 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -138.24 -155.52 6.82 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.504 HG13 ' CG ' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -71.84 154.01 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.74 . . . . 0.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -91.43 158.25 16.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -117.81 107.86 14.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.427 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 1.7 mm? -114.28 170.1 8.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -110.79 121.34 45.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -81.85 104.01 11.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -93.59 147.56 22.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 56.79 44.42 23.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.098 . . . . 0.0 109.566 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.7 p -117.32 169.71 9.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 108.323 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.566 HD21 ' CZ ' ' A' ' 101' ' ' PHE . 0.4 OUTLIER -115.39 -149.47 0.45 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.362 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 p -156.25 129.55 8.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.413 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -38.66 -56.18 2.07 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.544 1.153 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.449 ' O ' ' NH2' ' A' ' 56' ' ' ARG . 4.8 t -62.06 -61.22 2.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 0.784 . . . . 0.0 109.993 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -39.75 -46.93 3.07 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 75.4 t -50.49 -58.1 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 56.3 mt -63.88 -26.02 39.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.521 ' N ' HH21 ' A' ' 56' ' ' ARG . 0.9 OUTLIER -70.15 -47.23 62.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.504 ' CG ' HG13 ' A' ' 22' ' ' ILE . 80.8 t90 -59.86 -29.03 68.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 108.003 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.445 HD22 ' CD1' ' A' ' 52' ' ' LEU . 84.2 mt -68.5 -52.76 28.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 49.3 t -68.77 -37.32 77.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.35 -51.29 62.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.983 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.438 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 9.7 m-80 -80.86 -20.83 41.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 8.8 mmtt 84.33 58.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.445 ' CD1' HD22 ' A' ' 47' ' ' LEU . 12.2 mt -93.01 -22.03 19.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.423 ' HB ' ' CB ' ' A' ' 58' ' ' GLU . 34.1 m -131.79 -178.1 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -96.72 -29.44 13.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -152.98 155.31 36.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.521 HH21 ' N ' ' A' ' 45' ' ' ASP . 4.2 mtp180 -43.13 -43.13 4.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 110.346 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.1 tm0? -44.79 -63.19 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.423 ' CB ' ' HB ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -46.08 -49.81 15.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.259 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.48 -44.54 77.68 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.554 1.159 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.3 tp -55.08 -63.68 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 31.6 mtm -45.87 -51.03 13.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 65' ' ' SER . 9.5 mm -57.22 -55.97 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.072 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 91' ' ' PHE . 58.4 m -38.44 -53.84 1.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.014 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.9 -47.68 31.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.2 OUTLIER -56.87 -36.93 70.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.469 ' CD2' HD22 ' A' ' 11' ' ' LEU . 17.7 mt -69.6 -58.03 4.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.542 1.152 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.568 HD12 ' CE1' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -50.06 -59.4 3.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.2 OUTLIER -39.5 -68.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.997 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -38.41 -32.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.334 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 107.38 26.13 5.79 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.534 1.147 . . . . 0.0 110.98 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.494 ' CD1' ' CG ' ' A' ' 12' ' ' TYR . 27.8 m-85 -85.01 -23.9 28.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 111.038 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.7 mt -129.32 110.36 11.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.514 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . 30.0 mm-40 -73.53 130.6 83.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 129.12 12.06 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.538 1.81 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -133.55 163.34 29.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.35 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.47 -123.91 6.98 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -141.41 -56.17 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 0.768 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.475 ' CD1' ' HB3' ' A' ' 96' ' ' ASP . 3.4 mt -41.24 -78.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 109.292 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -38.07 -64.28 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 81' ' ' ASN . 0.4 OUTLIER -42.55 -63.37 0.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 80' ' ' LYS . 0.4 OUTLIER -38.61 -32.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.482 ' CB ' HD11 ' A' ' 92' ' ' LEU . . . -75.37 -59.95 2.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -44.56 -26.76 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.412 ' N ' ' C ' ' A' ' 82' ' ' ALA . 0.4 OUTLIER -56.34 -60.42 3.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 161.44 62.9 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.409 ' CG1' ' HA ' ' A' ' 82' ' ' ALA . 3.7 mm -81.56 -75.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -142.04 -144.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.09 12.67 27.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -136.42 93.7 14.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.434 ' O ' ' CD1' ' A' ' 92' ' ' LEU . 18.4 Cg_endo -75.01 -23.99 13.23 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.479 1.778 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 63' ' ' SER . 5.2 t80 -84.48 127.27 33.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.497 ' CD1' ' N ' ' A' ' 92' ' ' LEU . 2.5 mp -104.37 125.62 50.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 93' ' ' ASP . 21.5 t0 -69.87 59.16 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -148.1 142.17 16.24 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.983 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.613 ' O ' ' CE1' ' A' ' 98' ' ' PHE . 18.3 Cg_endo -74.97 1.24 7.94 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.519 1.8 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.608 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 3.4 m-20 -83.05 -54.93 4.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' A' ' 98' ' ' PHE . . . -42.08 -32.32 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.613 ' CE1' ' O ' ' A' ' 95' ' ' PRO . 22.1 m-85 56.78 156.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.568 ' CE1' HD12 ' A' ' 67' ' ' LEU . 6.9 m-85 -169.0 131.76 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.514 ' CE1' ' HB2' ' A' ' 73' ' ' GLN . 36.7 p90 -135.37 149.83 49.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.566 ' CZ ' HD21 ' A' ' 38' ' ' LEU . 14.6 m-85 -68.62 141.71 93.24 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 75.67 3.65 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.7 t70 178.65 -37.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.98 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 9' ' ' GLY . 38.8 mt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -36.87 -72.09 0.17 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.96 -43.94 6.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 0.768 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.411 ' HG ' ' N ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -60.39 -55.08 37.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.599 ' CD2' ' CD1' ' A' ' 71' ' ' TYR . 18.6 t80 -52.25 -45.36 65.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.8 mt -52.69 -38.19 60.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.32 -43.88 69.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.016 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 10.6 mtt -53.27 -19.21 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.962 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -72.48 -39.46 67.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.491 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 2.4 t70 -58.38 112.42 4.89 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.01 9.42 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.542 1.812 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -118.84 -54.59 2.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.44 17.51 18.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -138.0 -155.9 6.98 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.411 1.069 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.527 HG13 ' CG ' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -75.19 142.76 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 109.332 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.489 ' HD3' ' N ' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -93.65 138.8 31.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.171 . . . . 0.0 109.327 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.482 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 1.3 pt-20 -109.79 96.62 6.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.335 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.21 155.14 19.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -86.72 130.39 34.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.6 mt . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.9 t . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -76.35 104.11 6.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -87.27 131.98 34.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 74.15 44.89 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.63 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.1 p -112.21 160.11 17.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 108.313 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.563 HD13 ' CZ ' ' A' ' 101' ' ' PHE . 8.1 mt -117.82 -145.2 0.38 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.499 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 2.3 p -159.62 133.97 7.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -46.08 -50.88 11.87 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.464 1.102 . . . . 0.0 111.051 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.421 ' OG ' ' N ' ' A' ' 42' ' ' GLY . 0.8 OUTLIER -64.56 -60.57 2.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 109.998 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.421 ' N ' ' OG ' ' A' ' 41' ' ' SER . . . -47.65 -37.74 14.17 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 111.039 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 39' ' ' THR . 71.0 t -59.12 -45.11 92.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 109.245 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.7 mt -76.3 -26.31 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -65.11 -44.24 89.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.527 ' CG ' HG13 ' A' ' 22' ' ' ILE . 78.7 t90 -62.8 -33.15 74.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 107.985 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 44.2 mt -63.73 -53.32 52.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 40.5 t -68.56 -44.66 82.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 44.2 p -44.93 -54.22 6.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.426 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 9.4 m-80 -78.81 -20.99 48.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 3.9 mmtt 82.69 60.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.9 mt -92.56 -20.86 20.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.427 ' HB ' ' CB ' ' A' ' 58' ' ' GLU . 29.4 m -130.28 -174.1 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.4 mtt180 -93.24 -24.51 18.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.36 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.436 ' OD1' ' CB ' ' A' ' 57' ' ' GLN . 1.1 p30 -165.05 178.77 6.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -38.53 81.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.436 ' CB ' ' OD1' ' A' ' 55' ' ' ASN . 5.3 tm0? -49.67 -66.61 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.427 ' CB ' ' HB ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -41.8 -50.82 4.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.272 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.98 -51.46 53.51 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -45.3 -46.23 12.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.776 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 18.1 mtm -69.0 -58.14 4.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 65' ' ' SER . 4.8 mm -49.92 -52.51 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.552 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 3.9 m -40.11 -49.41 2.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.035 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -53.94 -46.27 71.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -57.09 -35.86 69.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.97 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 29.1 mt -68.01 -56.52 8.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.571 HD13 ' CE1' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -55.06 -59.25 5.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -38.69 -65.48 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.927 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -40.29 -37.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 113.52 18.02 7.28 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.599 ' CD1' ' CD2' ' A' ' 12' ' ' TYR . 31.1 m-85 -78.14 -15.88 58.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.766 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.1 mt -139.69 119.49 13.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -91.33 143.44 28.26 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.62 36.88 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.522 1.801 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.38 114.07 4.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 128.19 -117.55 2.59 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -140.78 -60.32 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 109.321 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.8 mp -41.42 -73.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.443 ' HB2' ' CE1' ' A' ' 99' ' ' TYR . 2.6 p -42.16 -51.98 4.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.024 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -51.11 -64.54 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.413 ' O ' ' CB ' ' A' ' 84' ' ' ASP . 0.3 OUTLIER -44.79 -44.44 9.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' A' ' 90' ' ' PRO . . . -51.98 -63.54 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -42.9 -40.63 3.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.413 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 6.8 t0 -48.52 -44.77 36.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.465 ' O ' ' HB ' ' A' ' 86' ' ' ILE . . . 164.34 -86.03 0.1 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.465 ' HB ' ' O ' ' A' ' 85' ' ' GLY . 9.7 mt 70.37 -53.1 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.774 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -166.51 -132.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.54 15.38 20.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -137.46 107.04 8.49 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.424 ' O ' ' CB ' ' A' ' 82' ' ' ALA . 18.5 Cg_endo -74.89 -44.45 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.468 1.773 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.552 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 2.5 t80 -66.56 145.01 56.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 94' ' ' SER . 51.6 mt -125.42 112.02 15.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -67.86 70.22 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -145.89 147.39 32.19 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.972 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -10.21 21.04 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.468 1.773 . . . . 0.0 110.978 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.479 ' O ' ' CZ ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -74.24 -45.79 45.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.31 130.28 42.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.479 ' CZ ' ' O ' ' A' ' 96' ' ' ASP . 12.9 m-85 -118.11 137.48 52.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.077 . . . . 0.0 111.032 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.571 ' CE1' HD13 ' A' ' 67' ' ' LEU . 51.6 m-85 -134.71 150.71 50.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -140.81 152.71 45.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.563 ' CZ ' HD13 ' A' ' 38' ' ' LEU . 32.2 m-85 -71.65 146.11 90.69 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 75.95 3.55 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.539 1.81 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 177.38 -39.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.025 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.458 ' O ' ' C ' ' A' ' 9' ' ' GLY . 46.9 mt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -33.09 -72.6 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.451 1.094 . . . . 0.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.08 -43.49 14.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.498 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -60.62 -54.34 46.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.266 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.567 ' CD2' ' CD1' ' A' ' 71' ' ' TYR . 20.4 t80 -52.97 -45.72 67.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.4 mt -50.17 -42.45 51.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -62.27 -57.35 11.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 109.969 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.605 ' SD ' ' CE3' ' A' ' 46' ' ' TRP . 3.9 mmt -37.55 -40.92 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -52.65 -50.1 63.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.511 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.6 t70 -49.94 119.3 9.93 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -5.8 17.25 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.503 1.791 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -115.94 -53.78 2.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 mttp -93.1 12.72 23.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.511 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -140.43 -155.09 6.42 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.129 . . . . 0.0 111.024 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.515 HG13 ' CG ' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -72.34 159.2 5.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 0.766 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.58 -175.99 6.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -149.53 104.0 3.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.459 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 1.4 mm? -113.42 165.59 12.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.445 ' ND2' ' H ' ' A' ' 26' ' ' ASN . 1.7 p30 -96.23 91.42 5.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.7 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.318 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -91.76 102.18 14.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.96 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -75.03 127.02 32.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 76.48 37.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.621 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.499 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 0.8 OUTLIER -102.46 172.26 6.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 108.298 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.563 HD12 ' CZ ' ' A' ' 101' ' ' PHE . 1.0 OUTLIER -139.37 -154.19 0.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' A' ' 38' ' ' LEU . 13.2 p -158.23 139.41 13.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.415 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.78 -29.0 32.5 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.8 t -80.63 -43.8 19.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 110.0 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.38 -50.62 20.49 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.482 ' CG2' ' N ' ' A' ' 44' ' ' ILE . 15.1 m -43.24 -55.2 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 0.785 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.508 ' CG2' ' HD2' ' A' ' 56' ' ' ARG . 72.9 mt -57.31 -45.3 85.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -47.15 -40.93 16.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.605 ' CE3' ' SD ' ' A' ' 15' ' ' MET . 79.6 t90 -70.41 -35.88 73.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 108.03 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.465 HD23 ' CD1' ' A' ' 52' ' ' LEU . 96.2 mt -61.78 -49.84 74.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 51' ' ' LYS . 58.3 t -71.15 -46.2 67.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.19 -49.64 6.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.034 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.466 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 15.2 m-80 -78.49 -24.27 45.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.466 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 8.3 mmtt 86.27 44.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.465 ' CD1' HD23 ' A' ' 47' ' ' LEU . 10.2 mt -73.39 -33.52 65.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.4 m -117.93 -172.55 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -100.93 -26.68 13.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.286 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -147.96 172.81 13.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.508 ' HD2' ' CG2' ' A' ' 44' ' ' ILE . 0.2 OUTLIER -64.15 -42.82 96.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 60' ' ' LEU . 4.3 tt0 -51.17 -64.82 0.69 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 57' ' ' GLN . 1.1 tt0 -38.69 -50.14 1.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.31 -43.08 75.45 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 57' ' ' GLN . 1.2 tm? -53.39 -51.02 63.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 42.6 mtm -60.86 -57.4 12.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.152 . . . . 0.0 111.032 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 50.0 mm -47.59 -49.77 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.577 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 3.1 m -43.52 -54.33 4.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.007 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.89 -45.08 15.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.91 -35.95 73.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.965 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.461 ' CD2' HD11 ' A' ' 11' ' ' LEU . 41.9 mt -70.22 -58.08 4.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.555 HD12 ' CE1' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -52.99 -58.46 6.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 t -41.11 -64.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.97 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -40.65 -37.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.332 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 112.63 26.5 4.17 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.432 1.082 . . . . 0.0 110.964 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.567 ' CD1' ' CD2' ' A' ' 12' ' ' TYR . 33.4 m-85 -87.87 -15.03 37.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.0 mt -138.78 118.83 13.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.349 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -92.01 141.89 25.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.331 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 146.31 32.56 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.801 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -130.29 100.07 5.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 125.53 -163.27 19.56 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.536 1.148 . . . . 0.0 110.994 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.51 -34.54 10.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 0.784 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.37 -61.9 2.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.0 p -55.47 -19.47 9.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.956 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.0 -63.77 1.34 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -41.31 -49.42 3.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 109.258 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.4 ' CB ' HD12 ' A' ' 92' ' ' LEU . . . -52.63 -55.35 23.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.09 49.08 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -134.69 -59.85 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -177.39 34.65 0.08 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.2 mm -68.83 -64.17 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.494 0.761 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -156.22 -142.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.13 -13.97 26.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.276 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -108.52 101.24 42.14 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -20.66 16.62 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.511 1.796 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 1.3 t80 -88.88 142.01 28.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 94' ' ' SER . 67.7 mt -120.14 109.03 14.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.42 ' OD1' ' NH1' ' A' ' 56' ' ' ARG . 14.7 t0 -68.69 67.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -141.12 149.05 54.19 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.038 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -9.98 21.08 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.494 1.786 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.572 ' O ' ' CE2' ' A' ' 98' ' ' PHE . 2.5 m-20 -76.71 -48.82 17.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.53 132.54 53.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.572 ' CE2' ' O ' ' A' ' 96' ' ' ASP . 27.4 m-85 -118.38 143.72 46.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.555 ' CE1' HD12 ' A' ' 67' ' ' LEU . 36.8 m-85 -140.8 148.58 40.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -141.8 145.29 34.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 111.045 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.563 ' CZ ' HD12 ' A' ' 38' ' ' LEU . 18.2 m-85 -65.27 143.05 98.69 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 101' ' ' PHE . 18.3 Cg_endo -75.02 76.84 3.29 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.452 1.764 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.9 t70 176.24 -38.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.984 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 9' ' ' GLY . 66.5 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -36.73 -72.26 0.16 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.24 -46.69 6.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 0.782 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.431 ' HG ' ' N ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -58.34 -55.51 34.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.583 ' CD2' ' CD1' ' A' ' 71' ' ' TYR . 21.4 t80 -52.72 -45.84 67.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 45.5 mt -52.47 -35.32 52.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.46 -47.98 62.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.995 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.5 mtt -50.63 -20.55 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.54 -34.76 65.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.425 ' HB3' ' N ' ' A' ' 21' ' ' GLY . 1.6 t70 -61.74 117.96 33.53 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -2.27 12.31 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -121.23 -53.09 2.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 110.309 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.17 22.66 8.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.425 ' N ' ' HB3' ' A' ' 17' ' ' ASP . . . -141.52 -156.27 6.75 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.564 1.165 . . . . 0.0 111.052 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.533 HG13 ' CG ' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -69.06 159.14 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.455 0.738 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -82.43 -176.34 6.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -152.45 102.81 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.315 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.442 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -122.75 161.85 23.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.448 ' OD1' ' ND2' ' A' ' 35' ' ' ASN . 2.5 m-80 -97.83 118.32 34.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 79.6 t . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -71.19 101.54 2.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.448 ' ND2' ' OD1' ' A' ' 26' ' ' ASN . 8.5 m120 -89.97 157.89 17.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 41.77 50.78 4.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.593 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 99.3 m -123.11 161.14 24.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 108.281 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.566 HD13 ' CZ ' ' A' ' 101' ' ' PHE . 0.4 OUTLIER -119.41 -151.56 0.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 40' ' ' GLY . 1.4 t -172.42 148.47 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.533 ' HA2' ' CE1' ' A' ' 91' ' ' PHE . . . -36.6 -54.56 1.36 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 42' ' ' GLY . 3.3 t -59.8 -74.64 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 0.783 . . . . 0.0 109.993 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 41' ' ' SER . . . -35.97 -46.37 0.92 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.105 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 55.7 t -54.69 -64.29 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.434 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 48.3 mt -58.06 -38.15 65.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.452 ' O ' ' CB ' ' A' ' 49' ' ' SER . 8.5 t0 -52.79 -41.37 64.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.533 ' CG ' HG13 ' A' ' 22' ' ' ILE . 80.5 t90 -65.36 -39.36 92.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 108.017 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.434 ' CD1' ' HA ' ' A' ' 44' ' ' ILE . 23.0 mt -60.73 -59.7 4.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.405 ' O ' ' CE ' ' A' ' 51' ' ' LYS . 73.7 t -62.42 -42.41 95.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 45' ' ' ASP . 3.2 m -48.5 -54.35 14.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -82.43 -16.05 50.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' LEU . 3.1 mmtp 78.84 63.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 47' ' ' LEU . 14.2 mt -92.88 -11.26 33.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.415 ' HB ' ' CB ' ' A' ' 58' ' ' GLU . 6.0 m -138.52 -173.27 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -92.43 -24.27 18.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -163.57 172.83 13.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -54.92 -42.64 72.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.268 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 60' ' ' LEU . 5.8 tm0? -48.89 -65.72 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.415 ' CB ' ' HB ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -40.23 -49.69 2.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.092 . . . . 0.0 110.276 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -55.7 -43.56 86.48 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.5 OUTLIER -52.84 -51.71 59.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 109.302 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.9 mtm -62.75 -52.79 61.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 65' ' ' SER . 7.5 mm -55.31 -52.11 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.562 ' HB3' ' CD2' ' A' ' 91' ' ' PHE . 12.6 m -40.05 -49.1 2.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 110.011 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.24 -48.43 62.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -52.46 -38.9 60.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.048 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 27.9 mt -69.69 -54.87 11.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' A' ' 90' ' ' PRO . 0.3 OUTLIER -54.19 -59.57 4.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.419 ' N ' HD11 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -39.26 -67.32 0.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 68' ' ' SER . 35.0 mm-40 -38.07 -32.95 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 108.95 2.04 31.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.137 . . . . 0.0 110.95 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.583 ' CD1' ' CD2' ' A' ' 12' ' ' TYR . 27.5 m-85 -58.01 -15.66 9.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 0.788 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.9 mt -134.61 131.43 37.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -102.33 131.85 22.08 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.234 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 144.86 30.72 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.447 1.761 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -132.58 128.8 37.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 114.01 -99.38 0.96 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.432 1.083 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -171.8 -46.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.759 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 81' ' ' ASN . 0.4 OUTLIER -44.84 -87.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 99' ' ' TYR . 0.7 OUTLIER -39.36 -31.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.96 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.416 ' N ' ' C ' ' A' ' 78' ' ' LEU . 0.1 OUTLIER -63.48 -54.46 36.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 78' ' ' LEU . 32.8 m-20 -50.39 -23.67 2.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.465 ' CB ' HD11 ' A' ' 92' ' ' LEU . . . -73.68 -50.92 18.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.6 27.48 2.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -99.4 -20.08 16.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 86' ' ' ILE . . . 152.93 -20.28 0.76 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.414 ' O ' ' HB2' ' A' ' 87' ' ' ALA . 3.5 mm -39.38 -58.55 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 0.787 . . . . 0.0 109.261 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 86' ' ' ILE . . . 70.49 -179.06 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.519 ' O ' ' CB ' ' A' ' 89' ' ' ASN . 0.1 OUTLIER 78.37 -8.28 1.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 88' ' ' GLU . 0.8 OUTLIER 154.0 87.45 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.465 ' HB2' ' CD1' ' A' ' 67' ' ' LEU . 18.4 Cg_endo -75.02 -16.75 20.0 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.56 1.821 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.562 ' CD2' ' HB3' ' A' ' 63' ' ' SER . 4.5 t80 -99.46 127.65 45.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.563 ' CD1' ' N ' ' A' ' 92' ' ' LEU . 1.3 mp -102.78 116.32 32.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -74.9 59.51 0.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.61 155.0 78.58 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.966 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 0.42 8.91 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.482 1.78 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -87.59 -64.32 1.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -45.63 103.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -101.2 127.53 47.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 79' ' ' SER . 34.1 m-85 -123.28 155.95 36.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -143.92 145.05 32.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.566 ' CZ ' HD13 ' A' ' 38' ' ' LEU . 23.6 m-85 -62.71 148.99 90.27 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 2.19 6.88 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -126.15 26.36 6.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 101' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.02 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 9' ' ' GLY . 26.4 mt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.484 ' O ' ' CD1' ' A' ' 13' ' ' LEU . . . -35.58 -78.6 0.04 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -41.25 -45.23 2.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 0.751 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.529 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -57.44 -52.82 63.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.445 ' HB3' ' O ' ' A' ' 9' ' ' GLY . 25.9 t80 -55.64 -46.53 77.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.484 ' CD1' ' O ' ' A' ' 9' ' ' GLY . 8.0 mp -48.04 -39.07 18.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.17 -53.38 38.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.023 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.511 ' HG2' ' CZ3' ' A' ' 46' ' ' TRP . 14.5 mtp -44.47 -25.35 0.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 110.958 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.76 -47.69 71.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.512 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 2.3 t0 -50.76 115.8 6.24 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -2.37 12.45 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.48 1.779 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -117.37 -54.75 2.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.283 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -94.33 12.41 27.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.512 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -140.36 -155.73 6.64 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.484 HG13 ' CG ' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -68.68 157.43 6.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 0.775 . . . . 0.0 109.26 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -86.98 179.04 6.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -146.67 103.79 3.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.325 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.22 164.56 15.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -101.27 116.72 33.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.4 mt . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -70.51 104.12 2.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -87.52 158.05 19.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 42.73 74.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.617 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -139.19 168.78 19.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 108.296 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.525 ' O ' ' CG2' ' A' ' 39' ' ' THR . 2.2 mt -123.21 -153.6 0.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.525 ' CG2' ' O ' ' A' ' 38' ' ' LEU . 1.6 p -161.66 135.23 6.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 110.46 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -37.23 -48.03 1.5 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.41 -46.89 59.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 0.752 . . . . 0.0 110.003 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.54 -52.38 50.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 76.5 t -43.22 -52.79 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.536 0.786 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.482 ' CG2' ' HD2' ' A' ' 56' ' ' ARG . 22.9 mt -67.24 -45.6 85.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 49' ' ' SER . 27.3 t0 -40.72 -47.11 2.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.69 ' CZ3' ' CD1' ' A' ' 52' ' ' LEU . 61.6 t90 -60.57 -58.37 8.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.117 . . . . 0.0 108.015 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.48 ' CD1' ' HA ' ' A' ' 44' ' ' ILE . 4.2 mt -46.18 -44.44 16.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 13.3 t -72.76 -30.76 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 46' ' ' TRP . 0.3 OUTLIER -70.63 -46.75 62.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.005 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.623 ' ND2' ' CD2' ' A' ' 46' ' ' TRP . 6.9 p30 -82.13 -21.77 36.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' LEU . 7.5 mmtt 81.82 36.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.69 ' CD1' ' CZ3' ' A' ' 46' ' ' TRP . 9.3 mt -69.12 -20.03 64.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.43 ' HB ' ' CB ' ' A' ' 58' ' ' GLU . 18.1 m -130.07 -172.68 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.9 mmt-85 -97.38 -26.99 14.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -164.97 159.92 18.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.24 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.482 ' HD2' ' CG2' ' A' ' 44' ' ' ILE . 0.6 OUTLIER -40.94 -46.39 2.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.1 tm0? -43.92 -63.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.43 ' CB ' ' HB ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -46.28 -49.0 17.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -55.37 -42.31 82.67 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.95 -50.79 63.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 24.8 mtm -65.2 -51.95 57.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 111.043 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.6 mm -55.33 -43.57 71.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.572 ' HB3' ' CD2' ' A' ' 91' ' ' PHE . 3.7 m -50.05 -51.13 44.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.973 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.97 -46.04 78.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.32 -35.19 67.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.997 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.472 ' CD2' HD11 ' A' ' 11' ' ' LEU . 42.8 mt -72.74 -57.11 4.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.548 HD13 ' CE1' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -52.63 -55.81 19.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t -39.89 -66.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 109.975 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -41.37 -33.02 0.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 0.0 110.253 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 109.73 21.64 7.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -79.64 -17.59 53.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.8 mt -132.7 118.83 19.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.519 ' HB2' ' CE2' ' A' ' 100' ' ' TYR . 33.6 mm-40 -92.35 139.82 24.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.36 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 143.23 28.91 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.448 1.762 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -131.82 105.0 7.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 123.9 -149.69 16.92 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.21 -45.56 3.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.778 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.7 tt -47.3 -71.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.51 ' HB2' ' CE1' ' A' ' 99' ' ' TYR . 78.5 p -45.08 -50.42 11.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.031 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -44.43 -59.54 2.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -53.15 -45.1 68.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.96 -55.66 13.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.06 54.94 2.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -135.48 -58.9 0.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 176.18 38.23 0.05 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.453 1.096 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.407 HG22 ' N ' ' A' ' 87' ' ' ALA . 4.5 mm -68.05 -68.72 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 0.778 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.407 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -147.25 -145.03 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.301 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.09 9.39 36.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -135.34 110.74 10.65 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.44 ' HB2' ' CD2' ' A' ' 67' ' ' LEU . 18.5 Cg_endo -74.96 -31.71 6.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.455 1.766 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 63' ' ' SER . 6.9 t80 -81.8 146.0 30.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 94' ' ' SER . 60.1 mt -124.61 111.36 15.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.423 ' OD1' ' NH2' ' A' ' 56' ' ' ARG . 24.2 t0 -68.18 70.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -139.19 147.77 54.57 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.014 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -7.13 18.91 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.442 1.759 . . . . 0.0 111.046 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.579 ' O ' ' CE2' ' A' ' 98' ' ' PHE . 5.8 m-20 -82.49 -59.83 2.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -48.49 129.35 16.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.579 ' CE2' ' O ' ' A' ' 96' ' ' ASP . 20.4 m-85 -116.18 146.81 42.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.548 ' CE1' HD13 ' A' ' 67' ' ' LEU . 62.5 m-85 -148.26 159.92 43.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.519 ' CE2' ' HB2' ' A' ' 73' ' ' GLN . 39.0 p90 -147.99 171.38 15.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 111.051 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.429 ' CZ ' HD12 ' A' ' 38' ' ' LEU . 14.0 m-85 -89.92 142.57 29.05 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 71.31 5.08 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.488 1.783 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -177.57 -39.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.968 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 11' ' ' LEU . 32.8 mt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -34.46 -69.48 0.19 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.36 -41.74 39.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 0.793 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.563 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -61.52 -50.03 74.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.563 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 22.3 t80 -58.12 -48.76 79.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 32.4 mt -45.99 -43.34 14.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -62.26 -59.7 4.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.043 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 8.4 mtt -40.33 -40.1 1.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -45.47 73.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 14' ' ' SER . 0.4 OUTLIER -52.57 119.11 14.56 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.254 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -3.02 13.31 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -121.82 -52.94 1.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -93.27 16.4 13.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.434 ' N ' ' HB3' ' A' ' 17' ' ' ASP . . . -137.35 -152.76 6.2 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.514 1.133 . . . . 0.0 111.027 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.535 HG13 ' CG ' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -74.07 157.33 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -74.96 -178.53 3.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -150.55 98.27 2.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.78 165.05 17.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -89.57 131.07 35.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.0 mt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.932 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.6 t . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.541 ' CE1' ' HB3' ' A' ' 75' ' ' ALA . 30.2 m-85 -107.73 101.75 11.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 36' ' ' HIS . 1.6 m-20 -79.38 164.19 24.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 35' ' ' ASN . 80.6 m-70 39.36 64.65 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.605 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.0 169.96 12.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.108 . . . . 0.0 108.273 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.57 HD11 ' CZ ' ' A' ' 101' ' ' PHE . 0.8 OUTLIER -127.77 -154.49 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.514 ' CG2' ' O ' ' A' ' 38' ' ' LEU . 1.4 p -161.63 125.28 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.412 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -46.7 -25.7 2.35 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 t -84.08 -44.37 14.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 0.764 . . . . 0.0 110.008 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.98 -46.46 36.53 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.492 ' CG2' ' N ' ' A' ' 44' ' ' ILE . 13.4 m -45.87 -55.32 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.773 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.492 ' N ' ' CG2' ' A' ' 43' ' ' VAL . 75.7 mt -55.47 -37.35 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -60.49 -36.23 77.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.535 ' CG ' HG13 ' A' ' 22' ' ' ILE . 83.3 t90 -72.87 -28.61 62.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 107.973 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.482 HD23 ' CD1' ' A' ' 52' ' ' LEU . 91.9 mt -68.64 -49.05 62.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.0 t -72.46 -37.51 57.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.4 ' HB2' ' HA ' ' A' ' 46' ' ' TRP . 0.4 OUTLIER -51.85 -50.03 61.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.413 ' C ' ' CD ' ' A' ' 51' ' ' LYS . 15.1 m-80 -82.25 -14.36 55.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.413 ' CD ' ' C ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER 76.21 57.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.482 ' CD1' HD23 ' A' ' 47' ' ' LEU . 11.8 mt -88.96 -20.27 24.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 2.4 m -134.39 -173.81 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.5 mtt85 -98.0 -26.93 14.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -149.91 167.49 26.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.439 ' HG2' ' CG2' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -58.16 -44.5 87.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 110.273 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 60' ' ' LEU . 4.1 tt0 -46.77 -63.44 1.02 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.467 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 1.9 mt-10 -39.33 -48.68 1.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -56.67 -44.52 91.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.571 1.17 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 57' ' ' GLN . 1.2 tm? -51.38 -54.19 29.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 15.2 mtm -59.7 -56.89 16.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 63' ' ' SER . 32.0 mm -48.05 -55.06 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.582 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 2.7 m -38.1 -53.83 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.952 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -42.91 -53.37 4.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.8 -44.79 59.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.021 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.448 ' CD1' HD12 ' A' ' 11' ' ' LEU . 2.7 mm? -64.12 -57.07 10.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.4 OUTLIER -50.37 -61.32 2.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.2 -64.71 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.948 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -39.24 -34.04 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.266 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 111.35 -4.12 28.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.445 ' CD1' ' CG ' ' A' ' 12' ' ' TYR . 32.8 m-85 -51.39 -19.98 1.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.3 mt -130.63 123.71 30.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -96.36 131.49 28.42 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 143.28 28.91 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.532 1.806 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.541 ' HB3' ' CE1' ' A' ' 34' ' ' PHE . . . -132.84 114.78 14.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 126.8 -125.79 5.48 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -140.03 -48.94 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.749 . . . . 0.0 109.268 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.403 ' CD2' ' N ' ' A' ' 79' ' ' SER . 4.9 tt -46.04 -70.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 82' ' ' ALA . 6.7 p -48.65 -55.37 11.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.993 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -46.39 -49.54 17.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -64.11 -30.38 71.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 79' ' ' SER . . . -68.86 -25.25 64.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.262 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.13 -24.67 15.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.58 -66.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 171.78 59.91 0.04 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.447 ' CG2' ' N ' ' A' ' 87' ' ' ALA . 3.7 mm -78.18 -78.75 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.447 ' N ' ' CG2' ' A' ' 86' ' ' ILE . . . -130.09 -142.44 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.11 -17.54 24.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -109.53 107.6 59.46 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -32.5 5.38 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.49 1.784 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 1.3 t80 -78.56 143.88 36.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 94' ' ' SER . 65.5 mt -123.82 109.77 14.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -66.93 71.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -145.67 148.58 37.08 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.025 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 0.78 8.49 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.521 1.8 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.416 ' O ' ' CE1' ' A' ' 98' ' ' PHE . 0.2 OUTLIER -89.23 -52.03 5.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.24 106.15 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.416 ' CE1' ' O ' ' A' ' 96' ' ' ASP . 17.8 m-85 -94.84 148.68 22.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 38' ' ' LEU . 59.8 m-85 -149.56 150.03 31.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -140.4 148.74 41.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 110.972 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.57 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 26.1 m-85 -66.98 151.08 97.49 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 60.84 5.54 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.453 1.765 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -177.57 -39.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 -179.953 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.452 HD23 ' CD2' ' A' ' 66' ' ' LEU . 64.3 mt . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -34.51 -74.38 0.08 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.51 -43.45 5.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.479 ' CD1' ' SD ' ' A' ' 15' ' ' MET . 0.8 OUTLIER -61.2 -50.49 72.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 13' ' ' LEU . 54.8 t80 -59.44 -50.61 73.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 12' ' ' TYR . 59.5 mt -36.26 -40.92 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.464 ' O ' ' HA3' ' A' ' 21' ' ' GLY . 0.4 OUTLIER -73.1 -63.54 1.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.025 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.591 ' HG2' ' CZ3' ' A' ' 46' ' ' TRP . 86.5 mtp -49.45 -23.65 1.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.961 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.415 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -92.1 25.29 2.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.498 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 0.6 OUTLIER -124.15 117.92 26.8 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 1.47 7.71 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.529 1.805 . . . . 0.0 110.962 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -110.52 -54.91 2.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.6 mmtt -115.76 32.92 5.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.498 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -140.72 -163.99 9.74 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.53 HG13 ' CG ' ' A' ' 46' ' ' TRP . 0.2 OUTLIER -60.69 164.2 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.522 0.777 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.57 147.49 24.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -108.48 125.53 51.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 mt -138.23 154.74 49.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -83.1 136.87 34.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 39.9 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -77.23 101.25 6.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -68.33 141.45 55.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 51.3 76.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.623 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.57 170.93 13.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 108.326 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.514 ' CD2' ' CG2' ' A' ' 22' ' ' ILE . 1.0 OUTLIER -132.16 -152.31 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.513 ' CG2' ' O ' ' A' ' 38' ' ' LEU . 1.9 p -160.86 137.51 8.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.44 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.62 -27.64 55.15 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.6 t -81.82 -39.21 24.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 0.0 110.024 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.427 ' O ' ' CB ' ' A' ' 45' ' ' ASP . . . -75.74 -47.36 12.07 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.543 1.152 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.502 ' CG1' ' O ' ' A' ' 39' ' ' THR . 14.1 m -48.02 -55.34 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.558 0.799 . . . . 0.0 109.254 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.49 ' N ' ' CG2' ' A' ' 43' ' ' VAL . 77.4 mt -53.75 -31.56 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 42' ' ' GLY . 3.6 t0 -63.83 -44.96 91.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.591 ' CZ3' ' HG2' ' A' ' 15' ' ' MET . 48.4 t90 -65.19 -29.43 70.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 108.022 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.469 HD22 ' CD1' ' A' ' 52' ' ' LEU . 95.7 mt -67.31 -49.79 62.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.6 t -72.56 -43.15 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.05 -50.0 15.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.984 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.446 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 14.0 m-80 -78.36 -22.06 48.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 3.5 mmtt 84.6 53.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.469 ' CD1' HD22 ' A' ' 47' ' ' LEU . 11.9 mt -85.5 -29.79 23.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.489 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 1.9 m -126.41 -172.89 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -96.97 -26.75 14.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -154.56 154.85 33.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.476 ' HD2' ' CG2' ' A' ' 44' ' ' ILE . 0.4 OUTLIER -45.4 -45.93 13.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.267 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 60' ' ' LEU . 2.4 tt0 -44.24 -62.8 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 0.0 110.339 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.489 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 1.9 mt-10 -42.0 -47.09 4.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -56.54 -40.59 87.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.44 1.088 . . . . 0.0 111.018 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 57' ' ' GLN . 1.2 tm? -52.44 -56.82 12.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 109.374 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 18.9 mtm -58.25 -55.29 36.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 63' ' ' SER . 38.1 mm -50.47 -54.54 8.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 91' ' ' PHE . 3.6 m -37.75 -56.48 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.012 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -41.88 -51.28 4.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -50.34 -41.19 50.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.025 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.461 ' CD2' ' N ' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -67.76 -56.39 9.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.524 HD13 ' CE1' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -53.08 -56.87 12.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -38.68 -67.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.967 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -40.68 -37.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 114.57 12.05 10.95 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -67.74 -23.45 65.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 0.773 . . . . 0.0 111.018 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.3 mt -128.38 116.26 19.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.569 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . 29.3 mm-40 -87.29 139.47 32.1 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 146.33 32.43 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.486 1.782 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -137.38 101.62 4.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.35 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.77 167.55 36.36 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -54.92 -169.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 0.776 . . . . 0.0 109.282 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.442 ' CD2' HD21 ' A' ' 92' ' ' LEU . 0.7 OUTLIER 70.82 -76.03 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.556 ' HB3' ' CE1' ' A' ' 99' ' ' TYR . 23.3 m -62.77 -49.72 73.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.028 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -54.2 48.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.441 ' O ' ' CB ' ' A' ' 84' ' ' ASP . 20.1 m120 -48.73 -29.05 4.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.481 ' CB ' HD11 ' A' ' 92' ' ' LEU . . . -65.17 -62.81 1.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.6 -22.92 3.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.441 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 15.7 t0 -47.54 -65.42 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 157.79 42.45 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.472 1.108 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.468 ' CD1' ' HA ' ' A' ' 82' ' ' ALA . 13.2 mt -63.8 -79.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.515 0.773 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -136.08 -142.5 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.87 10.4 41.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.297 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -128.43 86.76 56.95 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.247 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.489 ' O ' ' CD1' ' A' ' 92' ' ' LEU . 18.3 Cg_endo -74.96 -22.66 14.67 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.5 1.789 . . . . 0.0 110.977 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 63' ' ' SER . 1.4 t80 -83.8 129.33 34.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.984 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.559 ' CD1' ' N ' ' A' ' 92' ' ' LEU . 1.3 mp -105.48 109.49 21.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -68.03 69.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -147.1 152.64 43.83 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 0.0 109.975 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -10.58 21.32 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.521 1.801 . . . . 0.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.484 ' O ' ' CE2' ' A' ' 98' ' ' PHE . 0.7 OUTLIER -75.34 -50.36 16.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.02 115.82 4.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.484 ' CE2' ' O ' ' A' ' 96' ' ' ASP . 16.9 m-85 -104.08 139.89 38.53 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.513 1.133 . . . . 0.0 110.951 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.556 ' CE1' ' HB3' ' A' ' 79' ' ' SER . 36.7 m-85 -139.35 150.01 44.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.569 ' CE1' ' HB2' ' A' ' 73' ' ' GLN . 37.5 p90 -141.38 153.4 45.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.506 ' CZ ' ' O ' ' A' ' 15' ' ' MET . 32.1 m-85 -75.63 143.7 75.85 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 73.38 4.35 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.486 1.782 . . . . 0.0 111.031 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 163.76 -37.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.972 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.51 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 5.6 mp . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -34.72 -71.73 0.13 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.438 1.087 . . . . 0.0 110.999 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.02 -51.98 7.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.437 ' HG ' ' N ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -54.31 -56.24 20.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.437 ' N ' ' HG ' ' A' ' 11' ' ' LEU . 27.3 t80 -52.58 -49.63 64.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.6 mt -47.06 -37.07 8.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.54 -47.53 54.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.973 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 11.4 mtt -46.97 -28.28 1.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.55 -40.77 93.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.362 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.508 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 0.4 OUTLIER -57.95 111.89 4.11 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -0.92 10.54 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.476 1.777 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -117.71 -54.68 2.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.293 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -96.57 14.66 24.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.508 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -139.0 -154.36 6.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.519 HG13 ' CG ' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -71.42 157.14 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.34 -172.53 2.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -138.11 105.12 5.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.452 ' CD1' ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -113.75 146.59 39.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.436 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 9.9 p30 -94.88 129.93 41.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.358 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.436 ' CD1' ' C ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 63.8 t . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.412 ' CE1' ' HB2' ' A' ' 75' ' ' ALA . 49.1 m-85 -82.6 102.28 11.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -96.09 156.41 16.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 46.81 39.3 7.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.602 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 59.8 m -113.2 166.61 11.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.422 1.076 . . . . 0.0 108.343 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.57 HD13 ' CE1' ' A' ' 101' ' ' PHE . 0.7 OUTLIER -115.94 -152.93 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.434 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 0.9 OUTLIER -153.04 147.08 25.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.369 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -48.26 -52.82 17.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.6 t -67.43 -57.2 6.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 0.762 . . . . 0.0 110.005 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -42.48 -49.01 5.81 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.455 1.097 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 39' ' ' THR . 73.7 t -42.84 -43.4 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.742 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.542 ' CG2' ' HD2' ' A' ' 56' ' ' ARG . 10.7 mt -79.44 -43.8 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 49' ' ' SER . 38.4 t0 -41.09 -47.82 3.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.698 ' CZ3' ' CD1' ' A' ' 52' ' ' LEU . 61.9 t90 -60.44 -57.21 13.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 108.024 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.47 ' CD2' HD11 ' A' ' 52' ' ' LEU . 32.7 mt -47.86 -43.32 28.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 67.4 t -73.58 -28.77 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.357 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 45' ' ' ASP . 0.3 OUTLIER -73.18 -45.16 58.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.984 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.616 ' ND2' ' CD2' ' A' ' 46' ' ' TRP . 7.6 p30 -84.17 -21.1 31.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' LEU . 3.2 mmtp 81.21 37.5 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.698 ' CD1' ' CZ3' ' A' ' 46' ' ' TRP . 9.5 mt -71.63 -10.89 60.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.512 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 3.8 m -137.39 -171.79 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.5 mtt180 -95.14 -25.82 16.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -167.43 -175.95 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.542 ' HD2' ' CG2' ' A' ' 44' ' ' ILE . 0.7 OUTLIER -61.3 -38.4 86.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 60' ' ' LEU . 1.2 tm0? -48.41 -66.88 0.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.512 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 6.1 mt-10 -40.45 -51.23 2.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.113 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' A' ' 63' ' ' SER . . . -51.47 -39.31 44.42 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.7 OUTLIER -60.57 -48.46 81.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 0.792 . . . . 0.0 109.319 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 34.7 mtm -70.54 -45.99 64.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 65' ' ' SER . 5.0 mm -62.78 -55.07 26.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.567 ' HB3' ' CD2' ' A' ' 91' ' ' PHE . 5.7 m -37.81 -45.05 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.23 -51.75 66.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -51.68 -42.27 62.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.019 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.427 HD22 ' N ' ' A' ' 66' ' ' LEU . 1.7 mm? -62.59 -56.48 17.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.4 OUTLIER -56.33 -57.65 11.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -37.93 -68.22 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.442 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 33.1 mm-40 -40.94 -39.47 1.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 114.86 26.81 3.45 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.51 ' CE2' ' HB3' ' A' ' 8' ' ' LEU . 27.4 m-85 -87.67 -9.73 53.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 0.737 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.2 mt -141.94 117.64 10.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.509 ' CB ' ' CZ ' ' A' ' 100' ' ' TYR . 55.7 mm-40 -92.25 136.45 25.7 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -75.05 142.4 27.64 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.473 1.775 . . . . 0.0 110.996 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.412 ' HB2' ' CE1' ' A' ' 34' ' ' PHE . . . -144.4 110.32 5.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 140.61 -102.38 0.32 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.442 1.089 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -166.36 -50.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.4 mp -44.67 -72.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 80.5 p -48.31 -47.04 36.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.945 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -52.21 -44.98 65.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.49 ' O ' ' CB ' ' A' ' 84' ' ' ASP . 1.3 t-20 -58.6 -51.77 68.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.85 -51.62 68.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.32 -24.31 64.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 3.7 t0 -55.74 -63.53 1.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 169.04 47.29 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.466 1.104 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.454 ' CG2' ' N ' ' A' ' 87' ' ' ALA . 3.3 mm -67.97 -78.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.454 ' N ' ' CG2' ' A' ' 86' ' ' ILE . . . -135.93 -143.53 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -88.8 -15.28 35.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.57 103.49 46.64 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -26.84 10.49 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.49 1.784 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 63' ' ' SER . 3.9 t80 -81.14 149.21 29.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 36.4 mt -126.03 114.09 17.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.45 ' OD1' ' NH2' ' A' ' 56' ' ' ARG . 4.8 t0 -72.65 69.56 0.89 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.95 149.06 67.43 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.001 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -8.47 20.09 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.788 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.594 ' O ' ' CE2' ' A' ' 98' ' ' PHE . 59.7 m-20 -83.41 -54.63 4.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.403 ' HB2' ' CE2' ' A' ' 99' ' ' TYR . . . -46.97 131.97 11.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' A' ' 96' ' ' ASP . 78.9 m-85 -120.79 136.0 55.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.403 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 93.8 m-85 -134.14 163.81 28.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.509 ' CZ ' ' CB ' ' A' ' 73' ' ' GLN . 47.4 p90 -158.16 154.9 28.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 111.023 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.57 ' CE1' HD13 ' A' ' 38' ' ' LEU . 12.9 m-85 -76.58 140.87 68.49 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 78.05 2.98 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.507 1.793 . . . . 0.0 110.964 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.7 t70 174.91 -37.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.971 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.513 ' O ' ' C ' ' A' ' 9' ' ' GLY . 6.0 mp . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.513 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -28.07 -70.87 0.05 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -48.82 -51.84 27.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 0.765 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.481 HD11 ' CD1' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -54.89 -54.25 44.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.678 ' CD2' ' CE1' ' A' ' 71' ' ' TYR . 35.3 t80 -53.42 -51.89 61.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.8 mt -42.99 -38.25 2.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.35 -51.47 44.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.046 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.501 ' HG2' ' CZ3' ' A' ' 46' ' ' TRP . 11.5 mtp -46.94 -24.0 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.09 -45.15 78.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.505 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 2.0 t70 -52.87 116.11 8.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -1.99 11.95 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.534 1.807 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -118.1 -54.56 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -96.0 15.4 20.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.505 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -139.56 -155.07 6.5 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.53 HG13 ' CG ' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -68.49 163.65 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 109.311 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -95.65 -172.21 2.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -151.67 96.71 2.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -100.17 165.27 11.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -100.68 99.45 10.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.7 mt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -92.95 101.6 13.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -77.68 147.72 35.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 54.83 62.72 2.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.621 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 96.3 m -138.96 176.51 8.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 108.346 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.569 HD12 ' CE1' ' A' ' 101' ' ' PHE . 0.2 OUTLIER -132.99 -154.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.435 ' CG2' ' O ' ' A' ' 38' ' ' LEU . 1.8 p -158.11 135.82 10.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.421 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.42 ' HA2' ' CE1' ' A' ' 91' ' ' PHE . . . -39.85 -45.12 2.82 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.1 t -72.4 -43.44 63.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 109.996 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.51 -50.24 66.29 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 78.0 t -43.33 -46.31 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 0.789 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.488 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 21.2 mt -71.83 -41.26 69.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.583 1.177 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 49' ' ' SER . 54.8 t0 -45.01 -46.38 11.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.627 ' CD2' ' ND2' ' A' ' 50' ' ' ASN . 61.7 t90 -59.58 -57.45 12.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 107.966 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.488 ' CD1' ' HA ' ' A' ' 44' ' ' ILE . 4.1 mt -45.2 -45.09 11.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.0 t -73.41 -31.27 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -69.09 -44.55 72.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.627 ' ND2' ' CD2' ' A' ' 46' ' ' TRP . 6.0 p30 -84.28 -21.76 30.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 4.5 mmtt 82.89 35.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.59 ' CD1' ' CZ3' ' A' ' 46' ' ' TRP . 9.7 mt -69.51 -18.38 63.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.429 ' HB ' ' CB ' ' A' ' 58' ' ' GLU . 27.7 m -131.58 -172.21 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -99.52 -26.65 14.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 110.311 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -160.93 153.58 20.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -39.01 -41.34 0.76 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.274 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 60' ' ' LEU . 5.0 tm0? -48.01 -67.41 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 110.295 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.429 ' CB ' ' HB ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -39.63 -50.61 2.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.92 -41.45 67.74 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.471 1.107 . . . . 0.0 111.028 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.7 OUTLIER -54.04 -54.75 34.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 35.9 mtm -58.51 -50.58 73.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 24.5 mm -58.03 -50.48 77.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.571 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . 21.9 m -40.51 -50.11 2.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.77 -54.7 17.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.162 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.45 -45.0 25.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.01 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.481 ' CD1' HD11 ' A' ' 11' ' ' LEU . 2.1 mm? -59.7 -55.03 39.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.522 HD13 ' CE1' ' A' ' 99' ' ' TYR . 4.0 tp -56.96 -56.3 23.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.36 -62.27 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.969 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -45.94 -40.94 10.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 116.83 32.84 1.49 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.678 ' CE1' ' CD2' ' A' ' 12' ' ' TYR . 29.6 m-85 -90.9 -27.61 18.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 110.95 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.473 ' CD2' ' HB3' ' A' ' 66' ' ' LEU . 3.0 mm? -116.59 120.58 39.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.534 ' CB ' ' CE1' ' A' ' 100' ' ' TYR . 40.0 mm-40 -97.42 133.36 23.88 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 136.08 19.78 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -129.95 119.38 23.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 121.46 -86.82 0.4 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.536 1.147 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 170.28 -43.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.477 ' CD2' HD22 ' A' ' 92' ' ' LEU . 6.3 tt -40.95 -76.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 82' ' ' ALA . 73.7 m -55.87 -44.78 78.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.41 -55.3 5.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.467 ' O ' ' CB ' ' A' ' 84' ' ' ASP . 2.0 m-80 -45.17 -34.63 2.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 79' ' ' SER . . . -57.92 -68.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -42.68 -30.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.467 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 3.0 t70 -54.83 -62.27 1.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 163.9 60.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.519 1.137 . . . . 0.0 110.97 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.473 ' CG1' ' HA ' ' A' ' 82' ' ' ALA . 3.3 mm -76.17 -78.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.443 ' N ' ' CG2' ' A' ' 86' ' ' ILE . . . -135.53 -144.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.18 6.34 48.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -134.76 105.48 10.7 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.473 ' HB2' ' CD2' ' A' ' 67' ' ' LEU . 18.4 Cg_endo -74.96 -25.89 11.51 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.465 1.771 . . . . 0.0 111.0 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 63' ' ' SER . 2.5 t80 -86.23 129.66 34.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.567 ' CD1' ' N ' ' A' ' 92' ' ' LEU . 1.2 mp -105.64 113.6 27.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -72.4 63.78 0.57 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.25 148.71 60.74 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.001 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -10.1 21.04 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.506 1.792 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.583 ' O ' ' CE1' ' A' ' 98' ' ' PHE . 2.8 m-20 -77.86 -31.3 51.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.245 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.66 133.69 43.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 0.0 109.297 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.583 ' CE1' ' O ' ' A' ' 96' ' ' ASP . 5.6 m-30 -120.35 124.14 44.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.522 ' CE1' HD13 ' A' ' 67' ' ' LEU . 19.1 m-85 -126.83 145.71 50.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.534 ' CE1' ' CB ' ' A' ' 73' ' ' GLN . 22.9 p90 -139.87 147.65 40.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.569 ' CE1' HD12 ' A' ' 38' ' ' LEU . 13.9 m-85 -68.56 136.81 90.63 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 73.65 4.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 30.1 t0 179.97 -37.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.018 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 9' ' ' GLY . 25.7 mt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -36.19 -72.83 0.13 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -42.64 -48.07 5.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 109.317 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.412 ' HG ' ' N ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -57.36 -56.31 23.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.598 ' CD2' ' CD1' ' A' ' 71' ' ' TYR . 26.5 t80 -51.93 -47.81 64.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.7 mt -49.89 -40.2 42.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.5 OUTLIER -65.65 -48.58 71.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.95 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.0 mtp -46.71 -24.61 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.0 -39.69 75.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.524 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 0.4 OUTLIER -57.52 112.17 4.37 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -0.8 10.41 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.547 1.814 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -117.04 -54.89 2.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -97.94 15.86 22.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.524 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -141.43 -156.07 6.69 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.554 1.159 . . . . 0.0 111.012 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.512 HG13 ' CG ' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -69.47 167.46 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.257 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.404 ' N ' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -107.28 -169.91 1.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -141.88 129.94 22.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.316 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mt -139.15 164.72 29.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -90.52 149.23 22.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.6 mt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 179.957 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -87.48 102.38 14.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -76.53 147.78 37.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 55.84 72.25 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.607 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.4 t -142.33 166.66 24.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 108.333 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.52 HD12 ' CZ ' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -115.61 -151.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.469 ' CG2' ' O ' ' A' ' 38' ' ' LEU . 1.8 p -159.38 130.15 5.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.402 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 39' ' ' THR . . . -37.07 -40.79 0.58 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.2 -44.27 26.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 39' ' ' THR . . . -60.8 -42.41 99.5 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 77.4 t -48.46 -45.37 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.462 0.743 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.519 ' CG2' ' HD2' ' A' ' 56' ' ' ARG . 9.2 mt -74.38 -41.03 50.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 49' ' ' SER . 19.2 t0 -42.72 -48.07 5.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.684 ' CZ3' ' CD1' ' A' ' 52' ' ' LEU . 62.0 t90 -60.2 -58.36 8.83 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.465 ' CD2' HD12 ' A' ' 52' ' ' LEU . 4.0 mt -45.64 -48.62 14.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 8.2 t -68.3 -34.27 65.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 45' ' ' ASP . 0.4 OUTLIER -66.76 -47.46 72.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.541 1.15 . . . . 0.0 110.038 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.613 ' ND2' ' CD2' ' A' ' 46' ' ' TRP . 7.2 p30 -81.8 -17.01 49.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 47' ' ' LEU . 2.9 mmtp 76.87 35.31 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.684 ' CD1' ' CZ3' ' A' ' 46' ' ' TRP . 6.7 mt -64.45 -21.25 66.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.505 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 4.7 m -129.12 -173.57 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -89.72 -27.6 19.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.476 ' OD1' ' CB ' ' A' ' 57' ' ' GLN . 0.9 OUTLIER -163.11 -178.35 5.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.519 ' HD2' ' CG2' ' A' ' 44' ' ' ILE . 1.2 mmm-85 -61.45 -38.71 88.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.476 ' CB ' ' OD1' ' A' ' 55' ' ' ASN . 2.5 tm0? -47.75 -65.18 0.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 110.274 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.505 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 3.9 mt-10 -41.0 -49.93 3.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.84 -38.02 58.86 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.4 OUTLIER -59.46 -52.14 66.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 0.731 . . . . 0.0 109.288 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 18.9 mtm -66.73 -48.45 69.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 65' ' ' SER . 4.1 mm -59.96 -53.02 54.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.545 ' HB3' ' CD1' ' A' ' 91' ' ' PHE . 14.3 m -38.95 -42.85 0.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.019 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.07 -50.9 71.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -52.25 -37.49 55.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.482 ' HB3' ' CD2' ' A' ' 72' ' ' LEU . 44.2 mt -67.92 -55.91 11.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.453 ' CD1' ' HB2' ' A' ' 90' ' ' PRO . 0.4 OUTLIER -56.72 -60.32 3.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -37.74 -64.78 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.008 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -40.98 -40.22 1.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 114.05 25.17 4.26 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.544 1.152 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.598 ' CD1' ' CD2' ' A' ' 12' ' ' TYR . 30.5 m-85 -82.83 -23.3 33.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.482 ' CD2' ' HB3' ' A' ' 66' ' ' LEU . 2.6 mm? -119.01 124.82 47.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.506 ' HB2' ' CZ ' ' A' ' 100' ' ' TYR . 26.8 mm-40 -96.54 124.24 51.51 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 110.239 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 132.76 15.74 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.553 1.818 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -133.3 123.87 26.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 128.12 -111.63 1.32 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -154.69 -52.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 0.787 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.47 -71.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.79 -41.31 1.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.012 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -56.12 -62.08 1.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -43.34 -49.06 6.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.54 -53.69 10.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.335 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.31 58.02 2.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -143.01 -60.66 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -178.7 36.03 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.521 1.138 . . . . 0.0 110.954 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.4 mm -69.63 -73.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 0.75 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -147.17 -145.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 109.329 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.01 7.59 41.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.61 104.66 17.38 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.453 ' HB2' ' CD1' ' A' ' 67' ' ' LEU . 18.3 Cg_endo -74.96 -25.69 11.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 111.006 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.545 ' CD1' ' HB3' ' A' ' 63' ' ' SER . 1.9 t80 -92.51 140.25 29.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 94' ' ' SER . 43.7 mt -118.65 115.0 23.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 6.4 t0 -70.19 67.06 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -141.16 149.04 54.03 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.027 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -3.51 14.03 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.469 1.773 . . . . 0.0 111.027 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.423 ' O ' ' CE1' ' A' ' 98' ' ' PHE . 0.4 OUTLIER -82.65 -41.32 19.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.61 119.67 12.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.423 ' CE1' ' O ' ' A' ' 96' ' ' ASP . 10.3 m-85 -106.44 138.34 42.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -140.3 145.47 37.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.506 ' CZ ' ' HB2' ' A' ' 73' ' ' GLN . 41.5 p90 -139.55 143.02 37.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.52 ' CZ ' HD12 ' A' ' 38' ' ' LEU . 16.4 m-85 -61.44 134.13 93.4 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 111.049 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 72.94 4.47 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.0 t70 174.58 -36.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.3 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -45.36 -68.55 0.95 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.93 -51.01 10.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 0.0 109.296 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.517 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -54.94 -56.57 18.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -51.75 -39.37 58.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.978 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.9 mt -58.27 -47.44 83.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.25 -48.47 81.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.029 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 11.5 mtt -45.32 -37.8 5.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.979 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.82 -46.73 71.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.522 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.8 t0 -52.51 110.89 2.15 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -0.46 9.97 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.44 1.758 . . . . 0.0 111.043 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -117.26 -55.44 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 110.282 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -94.79 10.37 35.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.522 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -135.95 -154.19 6.83 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.476 HG13 ' CG ' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -68.75 162.91 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.55 0.794 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.407 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -87.82 -176.1 5.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -150.0 89.86 1.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.407 ' CD2' ' HB3' ' A' ' 23' ' ' LYS . 2.5 mm? -105.28 165.61 10.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -111.28 110.17 20.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.8 t . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -77.31 101.32 6.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -86.15 146.97 26.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 46.52 77.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.554 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 85.6 m -145.53 175.12 10.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 108.275 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.57 HD13 ' CZ ' ' A' ' 101' ' ' PHE . 0.2 OUTLIER -130.03 -157.18 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.482 ' CG2' ' O ' ' A' ' 38' ' ' LEU . 2.0 p -159.77 139.72 11.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.385 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.426 ' HA2' ' CE2' ' A' ' 91' ' ' PHE . . . -37.9 -43.9 1.35 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.0 t -68.99 -44.99 71.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 110.026 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 39' ' ' THR . . . -65.59 -44.55 92.55 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.549 1.156 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.2 t -47.18 -48.43 8.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.493 0.76 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.534 ' CG2' ' HD2' ' A' ' 56' ' ' ARG . 11.3 mt -74.48 -44.25 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -40.87 -46.71 2.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.643 ' CZ3' ' CD1' ' A' ' 52' ' ' LEU . 60.0 t90 -60.73 -56.77 17.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 107.967 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.468 ' CD2' HD12 ' A' ' 52' ' ' LEU . 49.5 mt -46.08 -46.35 16.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.254 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 24.9 t -71.0 -32.26 47.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 46' ' ' TRP . 0.2 OUTLIER -68.5 -46.54 69.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.975 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.622 ' ND2' ' CD2' ' A' ' 46' ' ' TRP . 6.9 p30 -83.0 -20.04 35.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 47' ' ' LEU . 3.9 mmtp 80.01 36.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.643 ' CD1' ' CZ3' ' A' ' 46' ' ' TRP . 8.2 mt -69.23 -10.73 59.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.531 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 2.4 m -139.65 -171.43 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.1 mtt180 -95.96 -26.08 15.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.339 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -161.85 -177.93 6.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.534 ' HD2' ' CG2' ' A' ' 44' ' ' ILE . 0.6 OUTLIER -61.7 -39.37 91.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.416 ' O ' ' HB3' ' A' ' 60' ' ' LEU . 4.0 tm0? -49.33 -70.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.531 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 2.9 mt-10 -38.14 -48.84 1.29 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 110.239 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.25 -47.87 60.61 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.416 ' HB3' ' O ' ' A' ' 57' ' ' GLN . 2.8 tp -50.54 -65.55 0.54 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 23.2 mtm -47.13 -52.2 16.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 65' ' ' SER . 10.0 mm -56.31 -57.95 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.559 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 4.4 m -36.59 -49.16 0.74 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.996 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -50.6 -52.05 42.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -51.05 -43.09 60.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.952 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.502 ' HB3' ' CD2' ' A' ' 72' ' ' LEU . 2.6 mm? -61.89 -55.89 24.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.556 HD12 ' CE1' ' A' ' 99' ' ' TYR . 2.7 tp -56.14 -56.67 18.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -37.92 -67.67 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.003 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -41.03 -39.95 1.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 114.86 26.61 3.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.577 1.173 . . . . 0.0 110.952 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -81.96 -25.47 34.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 0.74 . . . . 0.0 111.006 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.502 ' CD2' ' HB3' ' A' ' 66' ' ' LEU . 2.4 mm? -118.43 127.39 53.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -100.36 128.28 30.81 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 138.35 22.88 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.483 1.781 . . . . 0.0 111.031 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -137.69 122.46 18.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 134.49 -91.76 0.24 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 178.11 -37.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 0.774 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.471 ' CD2' HD22 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -61.19 -79.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.403 ' O ' ' CB ' ' A' ' 82' ' ' ALA . 15.2 p -39.84 -37.03 0.5 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 110.001 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -56.88 -53.49 57.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 78' ' ' LEU . 16.0 m-80 -54.08 -25.54 22.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.236 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.468 ' CB ' HD12 ' A' ' 92' ' ' LEU . . . -64.06 -68.46 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -50.59 -24.67 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -55.51 -62.67 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 162.29 53.97 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.46 1.1 . . . . 0.0 110.955 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.459 ' CG2' ' N ' ' A' ' 87' ' ' ALA . 3.5 mm -73.52 -78.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.459 ' N ' ' CG2' ' A' ' 86' ' ' ILE . . . -131.94 -143.84 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -91.58 -17.49 25.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 110.278 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -111.03 105.5 57.14 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.405 ' HB2' ' CD2' ' A' ' 67' ' ' LEU . 18.3 Cg_endo -74.96 -22.56 14.77 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.493 1.786 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 1.9 t80 -86.25 131.43 34.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.592 ' CD1' ' N ' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -104.89 107.43 18.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.331 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -68.78 67.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -144.42 151.91 52.16 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -2.2 12.22 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.528 1.804 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.56 ' O ' ' CE2' ' A' ' 98' ' ' PHE . 0.3 OUTLIER -83.53 -52.49 6.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.9 119.33 7.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.56 ' CE2' ' O ' ' A' ' 96' ' ' ASP . 8.9 m-85 -105.67 132.09 52.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.951 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.556 ' CE1' HD12 ' A' ' 67' ' ' LEU . 26.8 m-85 -131.54 146.5 52.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 35.2 p90 -145.96 147.44 31.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.57 ' CZ ' HD13 ' A' ' 38' ' ' LEU . 8.5 m-85 -64.74 139.35 97.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 64.59 6.03 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.534 1.807 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -167.61 -43.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.446 ' CD2' ' HG3' ' A' ' 69' ' ' GLU . 5.8 mp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -33.49 -72.05 0.1 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -42.94 -54.76 4.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 0.785 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.471 ' CD2' HD11 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -52.98 -58.12 8.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.49 ' CG ' ' CD1' ' A' ' 71' ' ' TYR . 34.9 t80 -50.29 -47.85 55.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.1 mt -49.42 -38.89 30.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.6 OUTLIER -66.57 -52.65 43.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.992 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 101' ' ' PHE . 19.6 mtt -42.85 -33.12 0.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -61.1 -43.38 98.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 14' ' ' SER . 0.7 OUTLIER -55.3 118.13 17.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -2.7 12.89 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.48 1.779 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -121.7 -52.6 2.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -94.34 18.11 11.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.428 ' N ' ' HB3' ' A' ' 17' ' ' ASP . . . -138.28 -152.64 6.05 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.537 1.148 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.52 HG13 ' CG ' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -77.6 159.25 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 0.742 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.2 -174.97 4.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -153.14 101.65 2.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.332 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.94 170.03 8.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -109.01 111.22 22.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.421 HD13 ' CD1' ' A' ' 98' ' ' PHE . 6.2 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.2 t . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -71.38 102.13 2.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -86.62 164.56 16.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 42.43 53.95 4.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.553 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -116.32 166.15 12.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.167 . . . . 0.0 108.317 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.486 HD13 ' CZ ' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -127.96 -155.51 0.7 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.504 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 2.5 p -159.12 135.93 9.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.416 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.64 -26.34 52.84 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.539 1.15 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.44 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 31.3 t -83.92 -41.44 17.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 0.762 . . . . 0.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.47 -43.91 43.35 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.109 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 39' ' ' THR . 17.4 m -51.23 -55.35 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.762 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.471 ' CG2' ' HD2' ' A' ' 56' ' ' ARG . 78.5 mt -54.89 -37.81 42.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -60.33 -39.79 88.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.52 ' CG ' HG13 ' A' ' 22' ' ' ILE . 79.4 t90 -68.03 -38.35 82.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 107.973 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 51.6 mt -55.98 -37.68 69.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 43.3 t -85.64 -40.65 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.361 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.64 -47.48 40.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.986 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.46 ' ND2' ' CE2' ' A' ' 46' ' ' TRP . 13.4 m-80 -81.32 -22.55 38.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 10.2 mmtt 84.43 65.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.365 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.9 mt -103.66 -25.96 12.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.444 ' HB ' ' CB ' ' A' ' 58' ' ' GLU . 16.5 m -128.0 179.76 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -84.97 -30.33 24.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -160.92 161.37 31.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.471 ' HD2' ' CG2' ' A' ' 44' ' ' ILE . 0.2 OUTLIER -42.75 -47.61 5.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.309 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.76 -63.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.445 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -45.4 -48.61 13.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.365 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.33 -41.22 54.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.109 . . . . 0.0 110.978 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -55.03 -57.07 13.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.771 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 32.6 mtm -56.03 -48.74 75.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 65' ' ' SER . 25.8 mm -60.35 -50.99 78.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.566 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 64.9 m -40.02 -52.24 2.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.99 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.22 -48.84 12.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -52.11 -41.38 62.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.027 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.471 HD11 ' CD2' ' A' ' 11' ' ' LEU . 1.2 mm? -64.53 -57.08 10.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.3 OUTLIER -55.42 -61.07 2.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 67' ' ' LEU . 1.7 t -38.0 -62.88 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.049 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.446 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 21.6 mm-40 -44.01 -40.34 4.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.301 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 114.64 31.68 2.09 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.49 ' CD1' ' CG ' ' A' ' 12' ' ' TYR . 33.6 m-85 -90.24 -17.51 27.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.751 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -126.22 124.92 41.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.45 ' CB ' ' CZ ' ' A' ' 100' ' ' TYR . 34.9 mm-40 -94.03 126.07 50.38 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 120.37 6.02 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.547 1.814 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.434 ' HB2' ' CD1' ' A' ' 100' ' ' TYR . . . -112.5 143.49 43.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 98.82 -124.9 8.37 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -139.34 -48.13 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 0.73 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 81' ' ' ASN . 0.6 OUTLIER -49.01 -75.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.8 m -41.91 -39.45 1.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.978 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -59.3 -47.62 84.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 78' ' ' LEU . 51.3 m-20 -60.42 -36.28 77.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.421 ' HB3' ' CD1' ' A' ' 92' ' ' LEU . . . -53.71 -59.24 4.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.25 43.91 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -111.29 -65.15 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -158.88 25.41 0.36 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.131 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.493 ' O ' ' CB ' ' A' ' 87' ' ' ALA . 5.8 mm -63.53 -66.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.502 0.766 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 86' ' ' ILE . . . 83.79 160.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 89' ' ' ASN . 2.4 tt0 74.43 -10.38 1.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 88' ' ' GLU . 0.8 OUTLIER 157.5 107.17 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -29.68 7.89 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.491 1.785 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 1.3 t80 -76.62 149.42 36.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 94' ' ' SER . 56.9 mt -126.53 107.16 9.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -68.04 69.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -139.55 147.84 53.79 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -5.23 16.53 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.792 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.47 ' O ' ' CE2' ' A' ' 98' ' ' PHE . 0.7 OUTLIER -84.32 -50.61 7.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.34 117.35 5.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.47 ' CE2' ' O ' ' A' ' 96' ' ' ASP . 31.6 m-85 -105.5 129.0 53.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -126.83 134.57 50.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.45 ' CZ ' ' CB ' ' A' ' 73' ' ' GLN . 36.8 p90 -127.29 141.09 51.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.486 ' CZ ' HD13 ' A' ' 38' ' ' LEU . 18.1 m-85 -58.43 146.26 72.88 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 62.43 5.88 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 111.011 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -176.96 -39.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.578 1.174 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.5 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.941 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.517 ' O ' ' C ' ' A' ' 9' ' ' GLY . 5.9 mp . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.517 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -28.21 -68.91 0.07 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.14 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.81 -60.25 3.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.539 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -47.56 -55.6 8.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.551 ' CD2' ' CD1' ' A' ' 71' ' ' TYR . 40.9 t80 -51.64 -52.83 44.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.6 mt -42.87 -38.0 2.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.4 ' C ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -68.68 -53.62 21.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.6 mtt -43.84 -25.84 0.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.4 ' N ' ' C ' ' A' ' 14' ' ' SER . 2.1 mtmp? -66.36 -48.33 70.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.517 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 2.7 t70 -48.64 115.26 4.23 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.85 10.47 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.772 . . . . 0.0 110.973 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -118.23 -54.68 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.345 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -97.0 14.48 25.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.517 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -139.02 -156.74 7.09 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.436 1.085 . . . . 0.0 111.047 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.517 HG13 ' CG ' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -74.34 150.47 7.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.523 0.778 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.428 ' HD3' ' N ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -88.7 -174.09 4.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -141.2 85.06 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.328 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.75 150.83 24.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -85.61 132.6 34.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mt . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.979 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 52.3 t . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -72.96 102.01 3.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.69 150.18 20.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 11.6 m170 65.74 57.05 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.603 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 95.6 m -133.41 159.19 41.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 108.324 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.576 HD11 ' CZ ' ' A' ' 101' ' ' PHE . 5.5 mt -116.57 -150.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 38' ' ' LEU . 1.7 p -160.52 127.89 4.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.387 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -48.23 -26.04 4.52 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.528 1.142 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.457 ' O ' ' NH2' ' A' ' 56' ' ' ARG . 2.3 t -84.42 -43.68 14.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 0.789 . . . . 0.0 110.043 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.68 -43.26 60.45 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.479 ' CG2' ' N ' ' A' ' 44' ' ' ILE . 16.2 m -51.46 -54.99 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 0.0 109.347 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.479 ' N ' ' CG2' ' A' ' 43' ' ' VAL . 74.6 mt -55.17 -49.44 72.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -46.0 -40.46 10.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.517 ' CG ' HG13 ' A' ' 22' ' ' ILE . 82.4 t90 -67.32 -42.39 83.69 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 44' ' ' ILE . 72.2 mt -53.1 -49.41 66.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 51' ' ' LYS . 46.9 t -70.33 -48.67 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.09 -50.51 4.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.474 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 13.4 m-80 -78.29 -25.46 46.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 7.5 mmtt 86.22 49.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.421 ' CD1' HD23 ' A' ' 11' ' ' LEU . 11.1 mt -80.86 -28.62 35.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.485 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 2.5 m -125.22 -172.53 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.7 mtt180 -97.46 -24.36 15.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.247 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -154.33 175.35 13.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.457 ' NH2' ' O ' ' A' ' 41' ' ' SER . 10.6 ttt-85 -64.05 -40.58 96.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 60' ' ' LEU . 5.7 tm0? -49.15 -65.08 0.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.485 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 2.2 mt-10 -40.6 -47.8 2.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -56.35 -40.03 84.35 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.539 1.149 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.6 OUTLIER -58.22 -47.53 83.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 0.763 . . . . 0.0 109.277 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 26.4 mtm -67.28 -51.85 47.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.1 mm -54.21 -49.33 63.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.571 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 3.4 m -43.52 -50.34 7.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.0 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -50.14 -45.29 52.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.27 -37.98 62.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.525 HD22 ' CD1' ' A' ' 11' ' ' LEU . 19.9 mt -68.64 -57.72 5.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.578 HD13 ' CE1' ' A' ' 99' ' ' TYR . 11.8 tp -50.13 -55.54 14.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.64 -65.11 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.036 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -45.26 -33.39 2.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 107.52 30.84 3.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.551 ' CD1' ' CD2' ' A' ' 12' ' ' TYR . 21.7 m-85 -85.94 -22.94 27.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.782 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 66' ' ' LEU . 2.9 mm? -119.19 120.42 37.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.424 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . 17.4 mm-40 -97.89 130.64 28.37 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -75.01 126.97 10.3 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.485 1.782 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -118.69 102.05 8.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 133.95 -122.54 3.04 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.461 1.1 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.76 -50.32 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 0.783 . . . . 0.0 109.356 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.8 tt -47.39 -71.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.5 p -49.09 -24.45 1.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.992 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -51.02 18.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -57.36 -42.03 81.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.468 ' HB3' ' CD1' ' A' ' 92' ' ' LEU . . . -52.61 -59.01 4.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -89.21 43.33 1.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.108 . . . . 0.0 109.295 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -111.72 -65.06 1.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.422 1.076 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -160.3 25.66 0.3 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.496 ' O ' ' CB ' ' A' ' 87' ' ' ALA . 4.9 mm -65.09 -67.07 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 0.776 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 86' ' ' ILE . . . 84.0 164.33 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER 73.14 -7.0 1.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.256 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.538 ' CB ' ' O ' ' A' ' 88' ' ' GLU . 1.0 OUTLIER 153.65 102.15 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.336 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -29.55 8.12 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.508 1.793 . . . . 0.0 111.042 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.571 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 1.5 t80 -79.52 139.37 37.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 82' ' ' ALA . 79.7 mt -117.66 109.7 16.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.44 ' OD1' ' NH1' ' A' ' 56' ' ' ARG . 22.7 t0 -68.38 72.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.55 147.98 35.25 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.985 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -4.71 15.81 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.467 1.772 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.437 ' O ' ' CZ ' ' A' ' 98' ' ' PHE . 0.2 OUTLIER -82.71 -48.26 11.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.278 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.84 112.06 3.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.437 ' CZ ' ' O ' ' A' ' 96' ' ' ASP . 9.5 m-85 -100.77 139.13 36.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.578 ' CE1' HD13 ' A' ' 67' ' ' LEU . 17.3 m-85 -139.59 140.19 36.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 111.05 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.424 ' CE1' ' HB2' ' A' ' 73' ' ' GLN . 33.5 p90 -131.56 146.71 52.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 111.058 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.576 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 12.9 m-85 -65.51 138.16 96.76 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 72.51 4.61 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.511 1.795 . . . . 0.0 110.945 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -177.04 -41.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.021 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 12' ' ' TYR . 5.0 mp . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.497 ' O ' ' CD1' ' A' ' 13' ' ' LEU . . . -36.98 -79.1 0.04 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.429 1.081 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.49 -43.69 8.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 0.785 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.584 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -57.07 -50.61 72.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.489 ' N ' ' O ' ' A' ' 8' ' ' LEU . 18.3 t80 -58.66 -48.42 81.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.966 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 9' ' ' GLY . 7.8 mp -46.45 -37.8 8.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.4 OUTLIER -69.97 -52.52 23.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.972 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.451 ' SD ' ' CD2' ' A' ' 11' ' ' LEU . 8.4 mtt -46.29 -24.91 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.08 -40.64 78.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.491 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.1 t0 -58.06 112.74 5.23 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -0.72 10.32 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.524 1.802 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -119.03 -52.68 2.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -98.86 17.19 20.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -138.64 -154.22 6.39 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.543 1.152 . . . . 0.0 110.963 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.543 HG13 ' CG ' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -70.59 151.56 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.761 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.55 161.08 15.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -124.48 105.36 9.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -109.52 166.54 10.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.492 ' O ' ' CD1' ' A' ' 27' ' ' LEU . 1.9 p30 -102.93 131.12 50.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.174 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.521 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.1 t . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -77.16 101.54 6.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -102.06 157.22 17.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 52.65 42.24 31.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.601 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 73.4 m -121.01 -176.73 3.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 108.291 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.494 ' O ' ' CG2' ' A' ' 39' ' ' THR . 0.7 OUTLIER -127.22 -148.92 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.494 ' CG2' ' O ' ' A' ' 38' ' ' LEU . 2.2 p -159.9 129.19 5.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.4 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 39' ' ' THR . . . -37.29 -55.7 1.54 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.54 1.15 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 t -64.96 -49.71 69.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 45' ' ' ASP . . . -52.25 -51.98 38.88 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.555 1.159 . . . . 0.0 111.044 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 65.6 t -45.44 -50.26 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.57 0.806 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.532 ' CG2' ' HD2' ' A' ' 56' ' ' ARG . 25.2 mt -69.4 -28.68 39.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 42' ' ' GLY . 7.0 t0 -62.07 -42.83 99.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.543 ' CG ' HG13 ' A' ' 22' ' ' ILE . 81.6 t90 -64.1 -34.27 77.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 108.055 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 44' ' ' ILE . 23.4 mt -65.67 -53.8 36.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 80.2 t -66.77 -37.93 80.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.69 -47.98 69.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.436 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 12.9 m-80 -82.12 -18.83 41.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.436 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 3.6 mmtt 83.52 42.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.472 ' CD1' HD23 ' A' ' 47' ' ' LEU . 9.6 mt -71.57 -25.48 62.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 2.6 m -130.66 -172.48 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.2 mtt85 -97.89 -27.08 14.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.344 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.409 ' N ' ' ND2' ' A' ' 55' ' ' ASN . 0.5 OUTLIER -152.49 172.05 17.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.532 ' HD2' ' CG2' ' A' ' 44' ' ' ILE . 0.3 OUTLIER -59.81 -42.41 93.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 58' ' ' GLU . 5.7 tm0? -47.39 -66.41 0.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.492 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 2.2 mt-10 -38.26 -49.13 1.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.269 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -57.51 -47.21 89.89 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.5 OUTLIER -44.56 -50.63 9.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.0 109.29 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 26.5 mtm -64.01 -57.14 10.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 63' ' ' SER . 28.3 mm -50.8 -54.87 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.545 ' HB3' ' CD2' ' A' ' 91' ' ' PHE . 18.8 m -37.47 -50.49 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.26 -54.87 9.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.428 ' CB ' HD22 ' A' ' 8' ' ' LEU . 1.3 t -45.72 -44.94 14.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.01 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.437 ' CD2' ' N ' ' A' ' 66' ' ' LEU . 1.5 mm? -63.34 -55.79 21.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.7 OUTLIER -55.02 -61.78 2.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -37.9 -66.21 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.02 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -38.69 -38.83 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 114.4 0.16 23.55 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.402 ' CE2' ' HB3' ' A' ' 8' ' ' LEU . 32.9 m-85 -57.42 -15.88 7.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 0.0 110.977 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.3 mt -132.26 126.07 32.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.509 ' CB ' ' CZ ' ' A' ' 100' ' ' TYR . 19.2 mm-40 -94.89 130.74 32.05 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 138.61 23.16 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.492 1.785 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.41 ' HB3' ' CD1' ' A' ' 100' ' ' TYR . . . -137.83 107.6 6.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.93 -108.29 0.51 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -159.18 -52.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 0.777 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.88 -79.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 95.4 p -43.02 -54.57 4.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -45.15 -68.84 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -43.29 -34.58 1.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.442 ' CB ' HD13 ' A' ' 92' ' ' LEU . . . -69.46 -57.25 5.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -50.94 -25.88 5.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.347 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.49 -63.0 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 165.22 59.66 0.02 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.408 ' CG1' ' HA ' ' A' ' 82' ' ' ALA . 3.7 mm -77.66 -64.14 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.774 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -152.84 -140.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.29 12.5 36.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -134.15 91.94 22.54 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.441 ' O ' ' CD1' ' A' ' 92' ' ' LEU . 18.3 Cg_endo -74.95 -25.99 11.45 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.537 1.809 . . . . 0.0 111.027 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.545 ' CD2' ' HB3' ' A' ' 63' ' ' SER . 2.8 t80 -85.45 127.94 34.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.559 ' CD1' ' N ' ' A' ' 92' ' ' LEU . 1.2 mp -103.12 110.02 21.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -70.21 65.48 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.45 149.46 65.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -11.92 21.56 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.587 ' O ' ' CE2' ' A' ' 98' ' ' PHE . 0.8 OUTLIER -73.87 -58.25 3.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -46.13 158.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.587 ' CE2' ' O ' ' A' ' 96' ' ' ASP . 53.8 m-85 -146.74 135.14 21.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 38' ' ' LEU . 88.3 m-85 -133.53 153.73 51.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.974 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.509 ' CZ ' ' CB ' ' A' ' 73' ' ' GLN . 39.0 p90 -144.53 142.52 30.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.424 ' CZ ' HD13 ' A' ' 38' ' ' LEU . 34.7 m-85 -63.24 149.88 90.3 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 72.82 4.52 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 0.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.9 t0 174.73 -39.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.998 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 m -107.22 -16.27 14.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 0.791 . . . . 0.0 109.958 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.26 -12.07 23.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.993 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.27 -169.23 14.57 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.499 1.125 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 56.34 60.6 3.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 0.745 . . . . 0.0 110.025 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 m -50.88 117.16 2.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 110.006 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.64 -82.13 0.3 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 9' ' ' GLY . 4.8 mp -40.9 -61.68 0.93 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -35.53 -71.87 0.15 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.27 -52.58 7.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 0.782 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.464 HD23 ' CD1' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -53.11 -56.13 18.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.578 ' CD2' ' CD1' ' A' ' 71' ' ' TYR . 22.4 t80 -52.97 -53.7 45.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 48.8 mt -43.79 -35.77 2.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.5 OUTLIER -72.31 -51.55 20.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.002 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 8.1 mtt -44.18 -29.59 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.96 -44.5 95.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.485 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.5 t0 -55.0 114.6 7.3 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -2.05 12.03 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.478 1.778 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -118.1 -54.46 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -94.43 13.36 24.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.485 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -137.81 -155.09 6.75 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.442 1.089 . . . . 0.0 111.037 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.52 HG13 ' CG ' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -70.63 156.41 7.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 0.75 . . . . 0.0 109.267 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -88.76 -175.34 4.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -149.44 106.34 3.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 110.326 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.81 171.73 7.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -110.43 102.73 11.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.281 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.2 mt -96.9 162.87 13.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -128.77 170.45 13.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -169.64 112.76 0.49 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 72.49 -69.66 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.46 55.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.415 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -154.93 121.43 5.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.363 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 79.4 t -86.71 142.88 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.415 ' CE1' ' HG3' ' A' ' 32' ' ' LYS . 35.7 m-85 -126.98 101.43 6.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -87.44 156.86 19.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 49.37 53.09 13.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.615 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.8 m -125.98 163.44 22.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 108.337 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.481 HD11 ' CZ ' ' A' ' 101' ' ' PHE . 1.7 mt -119.1 -150.87 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.3 p -152.78 135.29 15.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.375 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -43.95 -52.32 6.84 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.546 1.153 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -73.65 -46.16 48.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 110.05 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 45' ' ' ASP . . . -52.14 -47.94 53.98 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.6 t -48.16 -39.68 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.533 ' CG2' ' HD2' ' A' ' 56' ' ' ARG . 10.5 mt -78.7 -29.23 14.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 42' ' ' GLY . 7.9 t0 -59.95 -41.39 91.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.52 ' CG ' HG13 ' A' ' 22' ' ' ILE . 84.0 t90 -66.87 -34.31 77.52 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.438 ' CD1' ' HA ' ' A' ' 44' ' ' ILE . 21.2 mt -65.09 -55.54 18.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 72.1 t -66.57 -41.49 88.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.4 m -48.81 -49.75 37.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.944 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.421 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 7.4 m-80 -82.35 -18.86 40.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 4.3 mmtt 82.51 55.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.2 mt -84.98 -20.44 30.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 2.6 m -134.54 -173.41 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -93.2 -29.16 15.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -153.43 173.24 15.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.093 . . . . 0.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.533 ' HD2' ' CG2' ' A' ' 44' ' ' ILE . 0.4 OUTLIER -60.34 -40.64 91.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.282 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -48.01 -65.05 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.466 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 1.7 mt-10 -38.58 -48.4 1.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.35 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -57.95 -43.71 94.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.6 OUTLIER -48.72 -45.97 40.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 0.721 . . . . 0.0 109.265 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 43.3 mtm -67.41 -54.75 17.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 23.9 mm -54.23 -52.08 41.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 91' ' ' PHE . 15.1 m -39.83 -49.57 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.975 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.56 -52.19 49.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.52 -40.45 59.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.023 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.464 ' CD1' HD23 ' A' ' 11' ' ' LEU . 27.3 mt -64.13 -56.49 14.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 90' ' ' PRO . 0.6 OUTLIER -56.3 -56.6 19.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -37.25 -69.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.981 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -39.67 -39.65 0.79 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 115.49 15.38 7.6 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.464 1.103 . . . . 0.0 110.974 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.578 ' CD1' ' CD2' ' A' ' 12' ' ' TYR . 23.7 m-85 -72.4 -16.12 61.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.757 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.8 mt -135.2 122.37 21.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.433 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . 17.5 mm-40 -98.08 137.3 20.84 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 145.28 31.23 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.802 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -149.59 114.56 5.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 120.25 -92.61 0.52 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' SER . 0.3 OUTLIER -165.35 -172.59 2.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.751 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.0 mp 65.26 -77.15 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.45 ' HB2' ' CE1' ' A' ' 99' ' ' TYR . 78.9 p -45.36 -48.11 13.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.67 -59.26 4.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -48.8 -34.05 11.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.46 ' HA ' ' CG1' ' A' ' 86' ' ' ILE . . . -69.7 -58.94 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -49.6 -25.37 2.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -55.63 -63.16 1.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 166.7 50.18 0.03 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.46 ' CG1' ' HA ' ' A' ' 82' ' ' ALA . 3.4 mm -67.5 -75.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 0.749 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.412 ' N ' ' CG2' ' A' ' 86' ' ' ILE . . . -137.29 -145.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.95 8.75 36.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -133.53 106.58 11.96 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.463 ' HB2' ' CD2' ' A' ' 67' ' ' LEU . 18.4 Cg_endo -74.99 -31.94 5.81 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.48 1.779 . . . . 0.0 111.024 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 63' ' ' SER . 3.6 t80 -77.95 153.86 32.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 21.4 mt -134.44 113.29 11.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -73.33 67.68 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.14 147.14 62.66 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -11.33 21.51 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.454 1.766 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.515 ' O ' ' CZ ' ' A' ' 98' ' ' PHE . 18.1 m-20 -79.74 -46.53 16.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.98 143.59 56.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.515 ' CZ ' ' O ' ' A' ' 96' ' ' ASP . 16.6 m-85 -133.39 149.38 51.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.45 ' CE1' ' HB2' ' A' ' 79' ' ' SER . 94.0 m-85 -140.68 163.77 31.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.433 ' CE1' ' HB2' ' A' ' 73' ' ' GLN . 26.5 p90 -156.46 150.05 24.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.481 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 17.5 m-85 -70.96 142.69 88.08 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 111.036 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 72.17 4.75 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.541 1.811 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -176.75 -40.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.03 -77.65 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.043 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 48.84 -171.3 0.07 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 111.061 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 98.64 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.547 1.814 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.27 125.83 26.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 110.006 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.6 p -62.47 131.42 49.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 61.43 92.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 110.012 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.22 156.17 38.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.972 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.83 -144.83 4.43 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.37 -57.56 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.782 . . . . 0.0 110.004 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.89 -54.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.034 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.55 70.54 0.29 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.558 1.161 . . . . 0.0 111.041 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 11' ' ' LEU . 78.9 mt -128.77 -52.35 1.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.735 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -35.81 -55.48 1.09 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.4 -49.87 6.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.763 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 8' ' ' LEU . 41.6 mt -55.09 -62.73 1.47 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.526 ' CG ' ' CD1' ' A' ' 71' ' ' TYR . 31.0 t80 -46.77 -43.41 18.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 78.7 mt -59.77 -47.19 86.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.82 -50.08 53.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.991 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 11.1 mtp -48.76 -22.17 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.428 ' CG ' ' O ' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -68.86 -43.41 75.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.454 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 2.2 t0 -56.64 116.71 13.78 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -2.15 12.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.545 1.813 . . . . 0.0 110.999 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -119.05 -54.01 2.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 110.328 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -94.18 14.8 18.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.454 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -138.53 -154.31 6.43 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.527 HG13 ' CG ' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -68.54 155.19 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.778 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.7 178.21 8.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -146.44 95.73 2.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.92 153.65 20.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.455 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 7.6 p-10 -101.54 125.41 48.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.455 ' CD1' ' C ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -124.46 148.6 47.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -120.86 86.11 2.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 31' ' ' LYS . 3.4 tttt -81.66 115.47 20.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.42 -70.47 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.263 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -168.13 38.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -127.6 100.94 6.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.413 HG12 ' ND2' ' A' ' 35' ' ' ASN . 76.1 t -73.2 83.9 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -70.97 104.16 2.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.939 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.413 ' ND2' HG12 ' A' ' 33' ' ' VAL . 1.9 m-80 -99.92 142.25 31.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 60.46 50.95 5.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.54 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 66.9 m -121.44 166.37 14.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 108.279 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.514 HD12 ' CZ ' ' A' ' 101' ' ' PHE . 1.0 OUTLIER -118.41 -150.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.428 ' CG2' ' O ' ' A' ' 38' ' ' LEU . 2.3 p -157.4 137.03 12.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.428 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -45.58 -44.31 11.67 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 110.948 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.8 t -75.45 -53.25 8.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 109.954 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -50.8 -44.5 48.8 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 111.055 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.9 t -51.4 -42.71 28.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.538 ' CG2' ' HD2' ' A' ' 56' ' ' ARG . 17.5 mt -78.61 -27.11 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -63.84 -39.42 94.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.527 ' CG ' HG13 ' A' ' 22' ' ' ILE . 85.9 t90 -67.4 -34.83 78.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 107.989 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.464 HD23 ' CD1' ' A' ' 52' ' ' LEU . 81.2 mt -64.87 -53.9 39.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.2 t -67.77 -43.23 86.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.9 m -46.7 -50.15 18.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.971 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.421 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 8.8 m-80 -82.16 -20.17 38.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 4.4 mmtt 82.72 53.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.464 ' CD1' HD23 ' A' ' 47' ' ' LEU . 12.0 mt -82.94 -20.83 34.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 2.8 m -132.15 -172.13 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.3 mtt-85 -95.87 -23.05 17.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.334 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.442 ' N ' ' ND2' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -157.95 176.23 12.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.252 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.538 ' HD2' ' CG2' ' A' ' 44' ' ' ILE . 0.5 OUTLIER -63.98 -40.12 95.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.243 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.439 ' CB ' ' OD1' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -48.45 -66.64 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.102 . . . . 0.0 110.335 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.477 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 1.8 mt-10 -38.29 -49.34 1.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -57.76 -49.2 76.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -44.18 -50.15 8.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 32.0 mtm -63.97 -57.08 10.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 65' ' ' SER . 11.6 mm -51.28 -55.27 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.547 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 5.7 m -37.3 -51.23 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.971 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -50.78 -50.78 55.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.255 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -49.6 -42.77 45.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.97 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.424 HD22 ' N ' ' A' ' 66' ' ' LEU . 2.2 mm? -62.49 -56.76 15.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.242 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.475 ' CD2' ' HB2' ' A' ' 90' ' ' PRO . 0.4 OUTLIER -53.55 -57.81 9.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.1 OUTLIER -42.69 -64.67 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.044 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -40.52 -29.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 68' ' ' SER . . . 102.83 28.18 6.35 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.526 ' CD1' ' CG ' ' A' ' 12' ' ' TYR . 26.3 m-85 -89.27 -20.3 24.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 0.775 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.5 mt -132.95 118.79 19.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.412 ' HB2' ' CZ ' ' A' ' 100' ' ' TYR . 92.1 mm-40 -91.93 144.16 28.84 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 136.82 20.83 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.542 1.812 . . . . 0.0 110.958 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -125.65 72.66 1.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 149.23 164.01 11.34 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.457 1.098 . . . . 0.0 110.981 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.86 -46.45 81.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 0.792 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 tt -47.39 -62.09 1.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.414 ' HB2' ' CE1' ' A' ' 99' ' ' TYR . 88.0 p -55.33 -53.84 51.06 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.564 1.165 . . . . 0.0 109.985 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -40.77 -68.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -43.8 -47.65 8.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.32 -56.15 6.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.81 55.18 2.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -137.46 -61.15 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.263 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -179.71 38.06 0.07 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.4 mm -71.04 -64.97 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 0.0 109.324 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -152.95 -143.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.79 9.85 40.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -134.23 108.16 11.35 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.475 ' HB2' ' CD2' ' A' ' 67' ' ' LEU . 18.5 Cg_endo -74.95 -37.97 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.789 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.547 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 2.7 t80 -76.37 140.78 41.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 94' ' ' SER . 45.2 mt -123.07 112.87 18.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -68.61 68.1 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 92' ' ' LEU . 1.1 t -135.4 147.02 60.22 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.999 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -11.86 21.39 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.797 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.558 ' O ' ' CE2' ' A' ' 98' ' ' PHE . 2.9 m-20 -80.93 -44.26 18.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.01 122.04 16.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.558 ' CE2' ' O ' ' A' ' 96' ' ' ASP . 78.3 m-85 -112.61 151.39 30.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.459 ' CE1' HD12 ' A' ' 67' ' ' LEU . 64.2 m-85 -146.51 168.01 22.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.412 ' CZ ' ' HB2' ' A' ' 73' ' ' GLN . 27.8 p90 -159.19 161.95 36.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.514 ' CZ ' HD12 ' A' ' 38' ' ' LEU . 18.7 m-85 -80.81 142.82 53.01 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.952 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 70.15 5.38 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.462 1.769 . . . . 0.0 111.031 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -176.07 -39.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.36 -69.32 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.951 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 42.56 -166.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 81.6 2.18 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 110.951 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.425 ' O ' ' CB ' ' A' ' 108' ' ' SER . 0.2 OUTLIER -91.76 -50.58 5.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 107' ' ' SER . 0.2 OUTLIER 79.66 -54.07 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.011 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.458 1.098 . . . . 0.0 111.047 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.66 133.24 36.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 0.737 . . . . 0.0 109.989 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 170.4 155.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.982 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.84 -173.25 18.2 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.3 m 60.97 159.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 0.791 . . . . 0.0 109.992 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.5 t -47.36 -49.36 24.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 110.011 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.89 73.75 0.06 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.508 1.13 . . . . 0.0 110.946 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.465 ' CD2' HD21 ' A' ' 66' ' ' LEU . 57.8 mt -116.9 -62.36 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -33.0 -69.16 0.16 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.53 -44.7 46.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 109.263 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.518 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -59.17 -53.51 57.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.609 ' CD2' ' CD1' ' A' ' 71' ' ' TYR . 17.9 t80 -53.17 -41.87 65.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 31.4 mt -57.72 -36.88 72.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -47.5 73.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 109.997 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.7 mtt -49.79 -38.85 36.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.95 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.67 -45.98 58.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.47 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 2.5 t0 -54.22 113.23 4.8 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -0.67 10.26 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.532 1.806 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -119.25 -54.61 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -94.13 12.4 26.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.47 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -135.83 -151.64 6.2 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.538 HG13 ' CG ' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -71.25 153.29 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.756 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.07 146.74 24.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -124.19 105.71 9.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -98.82 162.83 12.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -87.54 86.65 7.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 mt -78.67 131.35 36.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.446 ' CD ' ' CG2' ' A' ' 33' ' ' VAL . 12.6 tt0 -114.79 100.41 8.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 16.9 tptt -89.07 75.61 7.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.361 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER 75.6 -66.96 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 tttm -126.49 -50.59 1.51 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -56.67 115.81 2.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.446 ' CG2' ' CD ' ' A' ' 28' ' ' GLU . 6.9 t -113.99 107.41 22.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -96.26 107.51 19.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.532 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 6.5 m-80 -94.58 35.96 1.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.532 ' CD2' ' O ' ' A' ' 35' ' ' ASN . 6.6 m-70 -179.36 47.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.554 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -120.33 170.08 9.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 108.308 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.572 HD11 ' CZ ' ' A' ' 101' ' ' PHE . 3.6 mt -119.85 -148.64 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 38' ' ' LEU . 5.3 p -158.82 127.54 5.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.364 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -38.67 -45.8 2.06 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.85 -57.37 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.981 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -44.21 -45.97 8.11 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.119 . . . . 0.0 110.958 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 69.4 t -52.37 -49.31 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 43.1 mt -73.1 -21.85 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.438 ' O ' ' CB ' ' A' ' 49' ' ' SER . 3.7 t70 -72.49 -39.79 67.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.538 ' CG ' HG13 ' A' ' 22' ' ' ILE . 87.0 t90 -68.15 -33.48 74.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 108.016 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.477 HD21 ' CD1' ' A' ' 52' ' ' LEU . 86.3 mt -67.24 -53.39 30.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.4 ' O ' ' CE ' ' A' ' 51' ' ' LYS . 78.7 t -68.52 -39.89 81.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 45' ' ' ASP . 3.0 m -50.89 -52.78 38.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.959 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -82.16 -16.36 50.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.4 ' CE ' ' O ' ' A' ' 48' ' ' VAL . 3.2 mmtt 77.97 69.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.477 ' CD1' HD21 ' A' ' 47' ' ' LEU . 15.3 mt -100.14 -14.88 18.36 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.414 1.071 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.417 ' HB ' ' CB ' ' A' ' 58' ' ' GLU . 5.0 m -133.8 -172.47 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.6 mtt180 -88.3 -24.19 23.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.699 ' N ' HD21 ' A' ' 55' ' ' ASN . 0.0 OUTLIER -176.12 167.53 2.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.343 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 -43.58 -46.68 7.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -43.82 -63.26 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.417 ' CB ' ' HB ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -49.17 -49.2 43.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.14 -48.17 59.4 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.537 1.148 . . . . 0.0 111.057 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.95 -51.53 23.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 0.771 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 15.9 mtm -62.59 -56.94 13.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 111.05 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 63' ' ' SER . 43.9 mm -48.86 -55.52 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.556 ' HB3' ' CD2' ' A' ' 91' ' ' PHE . 2.9 m -37.83 -54.86 1.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.966 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -46.76 -52.42 14.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.1 -42.75 19.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.481 ' CD1' HD13 ' A' ' 11' ' ' LEU . 1.6 mm? -65.6 -53.44 41.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.482 HD12 ' CE1' ' A' ' 99' ' ' TYR . 1.7 tp -54.66 -51.53 65.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.26 -63.88 0.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 110.016 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -41.47 -37.87 1.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 111.15 20.24 7.21 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.609 ' CD1' ' CD2' ' A' ' 12' ' ' TYR . 32.1 m-85 -79.15 -19.63 50.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 0.751 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.5 mt -129.33 121.34 27.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.54 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . 65.2 mm-40 -97.1 143.7 26.58 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.23 4.53 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.515 1.797 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.417 ' HB1' ' CD1' ' A' ' 100' ' ' TYR . . . -107.53 98.14 7.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 136.55 -136.12 8.17 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -126.75 -51.85 1.46 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.753 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.43 -31.6 55.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 52.0 p -76.08 -23.45 55.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.021 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -76.02 -24.71 55.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -82.16 -17.77 45.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.1 -42.96 72.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.37 30.06 2.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.335 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.63 -63.48 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.165 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 158.6 42.74 0.02 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 13.8 mt -60.91 -80.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 0.77 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -133.93 -140.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.26 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.93 7.89 42.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -135.65 106.51 9.91 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.422 ' HB2' ' CD2' ' A' ' 67' ' ' LEU . 18.5 Cg_endo -74.9 -41.02 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.535 1.808 . . . . 0.0 111.041 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.556 ' CD2' ' HB3' ' A' ' 63' ' ' SER . 3.9 t80 -62.54 149.18 43.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 94' ' ' SER . 18.1 mt -125.32 111.29 15.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -69.6 63.99 0.18 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.355 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 92' ' ' LEU . 1.6 t -134.77 145.37 54.5 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.995 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -4.23 15.1 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.51 ' O ' ' CE1' ' A' ' 98' ' ' PHE . 7.2 m-20 -86.0 -54.28 4.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -53.34 122.45 9.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.51 ' CE1' ' O ' ' A' ' 96' ' ' ASP . 25.3 m-85 -109.61 155.07 21.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.482 ' CE1' HD12 ' A' ' 67' ' ' LEU . 95.8 m-85 -153.96 162.87 40.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.54 ' CE1' ' HB2' ' A' ' 73' ' ' GLN . 15.3 p90 -150.88 161.86 41.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.572 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 10.6 m-85 -84.2 139.36 39.23 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 71.64 4.98 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.474 1.776 . . . . 0.0 111.01 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 176.77 -42.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.364 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 105' ' ' GLY . 9.3 t -94.74 -72.17 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.972 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.5 ' O ' ' CB ' ' A' ' 36' ' ' HIS . . . 38.82 -159.52 0.01 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -58.45 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.482 1.78 . . . . 0.0 110.953 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.0 t 72.7 -62.64 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.025 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 36.6 p -53.67 -51.85 61.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.997 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t -176.79 132.23 0.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 0.749 . . . . 0.0 109.984 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.66 143.77 39.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.81 -149.85 17.37 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.47 121.5 1.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 0.781 . . . . 0.0 109.998 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.14 -63.94 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.009 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -43.7 -63.02 2.35 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 9' ' ' GLY . 9.2 mt -61.94 -55.95 24.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 0.803 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -36.58 -73.13 0.13 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -42.79 -45.93 5.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 0.797 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.421 ' HG ' ' N ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -58.92 -56.44 22.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.59 ' CD2' ' CD1' ' A' ' 71' ' ' TYR . 21.7 t80 -50.94 -46.43 60.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.8 mt -50.74 -39.13 51.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.85 -48.23 63.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.991 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.1 mtt -45.96 -28.37 1.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 111.048 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.58 -45.9 88.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.493 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.3 t70 -53.74 113.64 5.2 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -1.46 11.24 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.532 1.806 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -118.29 -54.24 2.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.344 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -95.09 13.08 26.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.493 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -137.24 -154.54 6.69 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.511 HG13 ' CG ' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -76.07 151.89 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.764 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.08 161.08 14.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.491 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -132.34 121.46 23.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.294 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.31 170.66 7.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -96.06 84.97 3.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.153 . . . . 0.0 109.271 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mt -82.45 139.07 34.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -128.29 150.15 50.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -124.08 -65.92 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.408 ' O ' ' HB2' ' A' ' 31' ' ' LYS . 7.0 p-10 -142.99 84.39 1.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 30' ' ' ASP . 9.4 mmmt 80.59 -52.51 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -58.93 125.71 24.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.8 t -118.66 95.23 3.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -70.66 101.4 2.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -93.47 151.27 19.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.441 ' ND1' ' OE2' ' A' ' 24' ' ' GLU . 46.4 m-70 53.59 39.92 30.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 109.575 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.7 m -115.83 174.84 5.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 108.301 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.572 HD13 ' CZ ' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -127.52 -150.37 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.458 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 4.1 p -142.74 -168.51 2.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.414 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.97 -44.4 1.64 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 t -75.84 -52.78 9.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 0.755 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -48.26 -47.04 28.05 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.438 1.086 . . . . 0.0 110.963 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.458 ' CG2' ' O ' ' A' ' 39' ' ' THR . 42.8 t -45.9 -41.53 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.526 ' CG2' ' HD2' ' A' ' 56' ' ' ARG . 12.9 mt -77.34 -42.12 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -51.5 -40.11 58.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.511 ' CG ' HG13 ' A' ' 22' ' ' ILE . 78.7 t90 -65.39 -40.18 93.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 107.989 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.465 HD23 ' CD1' ' A' ' 52' ' ' LEU . 13.1 mt -59.82 -46.91 87.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.2 t -71.93 -44.31 67.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.53 -48.78 38.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.987 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.409 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 10.6 m-80 -81.02 -19.9 42.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 4.9 mmtt 81.04 68.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.465 ' CD1' HD23 ' A' ' 47' ' ' LEU . 13.8 mt -102.48 -21.4 14.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.9 m -131.56 -171.79 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -97.92 -23.4 15.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.284 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.618 ' N ' HD21 ' A' ' 55' ' ' ASN . 0.1 OUTLIER -159.5 174.89 13.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.526 ' HD2' ' CG2' ' A' ' 44' ' ' ILE . 0.4 OUTLIER -61.41 -41.89 97.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.324 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.496 ' CB ' ' OD1' ' A' ' 55' ' ' ASN . 5.2 tm0? -48.0 -67.34 0.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 57' ' ' GLN . 1.3 tt0 -38.13 -50.1 1.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.77 -44.58 80.63 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.9 OUTLIER -48.96 -55.4 11.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.757 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 29.6 mtm -56.38 -53.58 55.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 63' ' ' SER . 27.0 mm -55.58 -52.06 51.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.573 ' HB3' ' CD2' ' A' ' 91' ' ' PHE . 43.0 m -39.27 -56.32 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.45 -48.82 26.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.58 -37.74 63.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.5 mt -69.41 -54.52 14.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.401 ' CD2' ' HB2' ' A' ' 90' ' ' PRO . 0.4 OUTLIER -56.2 -57.42 12.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -42.1 -65.44 0.46 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -39.04 -38.91 0.5 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.426 1.079 . . . . 0.0 110.293 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 113.84 22.41 5.35 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.59 ' CD1' ' CD2' ' A' ' 12' ' ' TYR . 33.4 m-85 -82.24 -14.68 55.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 0.782 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.427 HD22 ' CD1' ' A' ' 101' ' ' PHE . 13.9 mt -137.43 117.82 13.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 49.4 mm-40 -88.67 138.34 29.82 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 142.7 28.1 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.483 1.78 . . . . 0.0 110.948 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -136.83 113.33 10.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 128.92 -120.7 3.35 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.138 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.88 -48.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 0.738 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.465 ' CD2' HD22 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -47.19 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.567 ' HB3' ' CE1' ' A' ' 99' ' ' TYR . 1.3 m -47.52 -36.16 9.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -59.11 -47.26 85.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -57.69 -17.89 17.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.481 ' CB ' HD11 ' A' ' 92' ' ' LEU . . . -72.44 -56.83 4.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.1 -14.0 32.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -53.59 -64.88 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 157.82 43.74 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.477 1.11 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 24.0 mt -64.91 -72.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.481 0.754 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -145.29 -138.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.89 11.25 37.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -129.37 85.31 59.52 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.457 ' O ' ' CD1' ' A' ' 92' ' ' LEU . 18.5 Cg_endo -74.96 -21.05 16.35 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.499 1.789 . . . . 0.0 111.009 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' A' ' 63' ' ' SER . 6.0 t80 -84.13 131.25 34.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.584 ' CD1' ' N ' ' A' ' 92' ' ' LEU . 1.0 OUTLIER -106.04 108.79 20.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.431 ' OD1' ' NE ' ' A' ' 56' ' ' ARG . 6.3 t0 -69.39 67.42 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -145.02 152.42 51.37 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.97 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -8.34 19.92 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.499 1.789 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.44 ' O ' ' CE1' ' A' ' 98' ' ' PHE . 4.7 m-20 -76.94 -55.8 5.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.07 129.19 37.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.118 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.44 ' CE1' ' O ' ' A' ' 96' ' ' ASP . 25.0 m-85 -115.9 137.5 52.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 111.037 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 79' ' ' SER . 32.8 m-85 -135.96 158.1 45.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -152.2 147.93 26.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.572 ' CZ ' HD13 ' A' ' 38' ' ' LEU . 22.3 m-85 -66.96 150.26 97.99 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 73.73 4.23 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.477 1.777 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 p30 174.79 -42.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.14 170.64 7.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.006 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 138.38 -153.2 22.33 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 171.98 17.27 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.54 1.811 . . . . 0.0 111.053 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.61 122.38 27.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 109.964 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 97.6 p -161.74 157.01 23.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.975 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m -125.89 121.82 34.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.773 . . . . 0.0 110.002 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.43 115.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 109.979 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.02 -77.83 0.05 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 p -46.41 169.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 0.74 . . . . 0.0 110.012 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -41.06 -57.35 2.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.979 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.68 81.63 0.08 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.452 ' CD2' HD23 ' A' ' 66' ' ' LEU . 65.3 mt -123.56 -58.49 1.6 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 0.733 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -38.59 -71.0 0.26 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.55 1.156 . . . . 0.0 110.992 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.55 -45.46 9.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.421 ' HG ' ' N ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -59.05 -56.12 26.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.604 ' CG ' ' CD1' ' A' ' 71' ' ' TYR . 22.2 t80 -50.94 -43.5 60.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.9 mt -54.69 -40.39 69.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.01 -51.01 64.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 101' ' ' PHE . 11.4 mtt -45.38 -25.04 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -67.78 -44.98 76.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.468 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.2 t70 -55.51 115.33 9.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -2.31 12.38 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.483 1.781 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -118.72 -54.25 2.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -93.59 13.56 21.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.468 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -138.63 -153.73 6.26 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.515 HG13 ' CG ' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -75.97 152.52 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 0.794 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.476 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -82.47 176.1 9.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.361 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -142.03 100.0 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.263 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.512 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -121.03 149.64 42.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.334 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -77.89 144.95 36.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.254 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mt -136.53 117.4 14.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -104.78 147.72 27.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.323 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.2 tttm -110.28 -42.63 4.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -154.93 -48.2 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -140.79 -47.41 0.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.123 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -50.75 115.57 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.9 t -96.84 80.28 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.113 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -70.77 104.03 2.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -89.54 159.15 17.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.254 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 42.3 70.72 0.26 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.595 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.1 m -130.38 164.62 24.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 108.295 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.566 HD11 ' CZ ' ' A' ' 101' ' ' PHE . 0.3 OUTLIER -122.98 -155.45 0.65 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.506 ' CG2' ' O ' ' A' ' 38' ' ' LEU . 1.9 p -160.82 136.76 8.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 110.399 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.53 -25.74 35.99 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.438 ' O ' ' NH2' ' A' ' 56' ' ' ARG . 7.4 t -84.69 -38.01 20.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.36 -41.35 25.95 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.477 ' CG2' ' N ' ' A' ' 44' ' ' ILE . 17.4 m -55.53 -55.38 17.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 0.754 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.477 ' N ' ' CG2' ' A' ' 43' ' ' VAL . 79.8 mt -54.92 -41.62 59.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -56.27 -36.95 69.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.515 ' CG ' HG13 ' A' ' 22' ' ' ILE . 83.1 t90 -70.75 -34.91 72.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 107.981 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.458 HD22 ' CD1' ' A' ' 52' ' ' LEU . 67.8 mt -61.26 -51.53 68.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 41.3 t -69.08 -46.06 78.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.56 1.163 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.82 -52.37 8.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.985 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.432 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 14.6 m-80 -77.0 -21.99 53.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 5.2 mmtt 83.44 53.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.458 ' CD1' HD22 ' A' ' 47' ' ' LEU . 11.5 mt -83.92 -29.27 27.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.49 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 2.4 m -127.35 -175.5 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -97.03 -28.09 14.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.478 ' N ' ' ND2' ' A' ' 55' ' ' ASN . 0.2 OUTLIER -147.65 169.57 19.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.256 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.464 ' HG3' ' CG2' ' A' ' 44' ' ' ILE . 5.5 ttt-85 -60.32 -43.94 95.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.408 ' O ' ' HB3' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -46.43 -61.83 1.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.364 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.49 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 1.9 mt-10 -44.38 -45.01 8.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -57.73 -44.05 94.27 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.408 ' HB3' ' O ' ' A' ' 57' ' ' GLN . 4.7 tp -53.81 -63.89 1.0 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 0.758 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 28.2 mtm -48.59 -54.02 16.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.957 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 65' ' ' SER . 8.4 mm -52.84 -57.45 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.584 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 3.4 m -37.59 -48.45 1.02 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -48.79 -50.39 34.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.2 OUTLIER -55.08 -40.16 70.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.032 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.452 HD23 ' CD2' ' A' ' 8' ' ' LEU . 1.2 mm? -65.13 -56.26 13.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.574 HD13 ' CE1' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -54.21 -58.03 8.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -42.76 -64.62 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.005 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 68' ' ' SER . 53.1 mm-40 -38.62 -36.86 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 112.14 16.89 8.67 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.604 ' CD1' ' CG ' ' A' ' 12' ' ' TYR . 34.6 m-85 -75.71 -24.66 56.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 0.785 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.421 HD22 ' CD1' ' A' ' 101' ' ' PHE . 20.7 mt -130.84 114.82 15.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -91.53 137.8 25.64 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 148.53 35.49 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.472 1.775 . . . . 0.0 111.047 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.41 ' HB1' ' CE1' ' A' ' 100' ' ' TYR . . . -149.96 105.25 3.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 125.64 -122.97 4.74 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.488 1.118 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' SER . 0.3 OUTLIER -131.7 -172.9 2.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 0.787 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.6 mp 64.45 -77.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 82' ' ' ALA . 12.8 p -44.81 -67.26 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.437 ' C ' ' N ' ' A' ' 82' ' ' ALA . 2.6 ttpp -46.53 -65.7 0.52 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -40.25 -30.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 79' ' ' SER . . . -68.04 -63.79 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -45.14 -26.67 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 82' ' ' ALA . 1.2 t0 -58.35 -61.73 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 164.42 57.32 0.02 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.467 ' CG1' ' HA ' ' A' ' 82' ' ' ALA . 3.3 mm -75.36 -78.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.447 ' N ' ' CG2' ' A' ' 86' ' ' ILE . . . -132.5 -144.79 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.04 7.78 45.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -135.35 105.99 10.16 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.421 ' O ' ' CD1' ' A' ' 92' ' ' LEU . 18.3 Cg_endo -74.97 -24.6 12.72 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.779 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.584 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 1.5 t80 -86.64 129.93 34.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.563 ' CD1' ' N ' ' A' ' 92' ' ' LEU . 1.1 mp -107.98 107.64 18.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -67.46 69.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -147.0 152.41 43.68 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.015 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -9.39 20.81 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.529 1.805 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.66 -47.71 25.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.83 115.54 5.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -102.92 140.55 37.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.574 ' CE1' HD13 ' A' ' 67' ' ' LEU . 58.0 m-85 -139.64 150.5 45.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.41 ' CE1' ' HB1' ' A' ' 75' ' ' ALA . 30.9 p90 -142.89 142.88 31.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.566 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 32.6 m-85 -64.72 147.86 97.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 76.55 3.38 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.518 1.799 . . . . 0.0 110.961 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 172.15 -34.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 m -119.48 158.21 26.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.992 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 147.68 -151.59 23.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 137.78 22.18 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.543 1.812 . . . . 0.0 111.024 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.1 m -140.61 116.52 10.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.03 -90.25 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 t -175.9 79.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 110.009 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.39 163.69 27.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.959 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 39.62 -141.66 0.63 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.527 1.142 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 75.83 -57.28 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 0.745 . . . . 0.0 109.978 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 39.94 77.47 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.981 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.73 -90.15 0.27 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.507 ' O ' ' C ' ' A' ' 9' ' ' GLY . 6.0 mp -40.26 -68.12 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 0.774 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.507 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -28.7 -69.45 0.07 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.48 1.113 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.22 -56.13 10.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 0.797 . . . . 0.0 109.335 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.542 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -51.06 -56.3 13.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.644 ' CD2' ' CE1' ' A' ' 71' ' ' TYR . 37.8 t80 -50.85 -52.24 43.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.4 mt -43.09 -40.75 3.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.61 -50.07 66.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.053 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 8.3 mtp -48.94 -30.04 5.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 111.048 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.98 -40.5 95.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.505 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 2.5 t0 -56.5 112.99 5.13 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -0.7 10.27 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.528 1.804 . . . . 0.0 111.044 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -118.03 -54.68 2.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.6 mtmm -97.76 16.12 21.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.505 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -139.62 -154.92 6.45 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.516 HG13 ' CG ' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -69.97 158.21 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 0.761 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -94.43 144.2 25.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -114.11 107.17 15.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.454 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 1.2 mm? -120.34 161.23 21.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -88.14 125.38 34.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.1 mt -120.09 143.58 48.07 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -139.61 151.41 45.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.284 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -122.18 -54.86 1.89 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -150.7 95.8 2.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 30' ' ' ASP . 1.6 mttp 73.28 -55.08 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -46.16 160.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.4 t -148.97 89.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.552 ' CE1' ' HB2' ' A' ' 75' ' ' ALA . 48.5 m-85 -71.08 108.21 4.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.538 ' HB3' ' CD2' ' A' ' 36' ' ' HIS . 4.8 m-80 -82.68 149.64 27.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.538 ' CD2' ' HB3' ' A' ' 35' ' ' ASN . 3.2 m-70 39.92 55.59 2.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.61 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.61 170.38 7.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 108.33 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.558 HD13 ' CE1' ' A' ' 101' ' ' PHE . 1.1 mt -131.69 -149.17 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' A' ' 38' ' ' LEU . 2.7 p -159.94 127.99 4.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -37.91 -45.96 1.66 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 t -69.31 -59.07 3.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 0.0 110.015 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -48.06 -50.52 21.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.414 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 56.1 t -44.04 -45.48 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.489 0.758 . . . . 0.0 109.294 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.534 ' CG2' ' HD2' ' A' ' 56' ' ' ARG . 19.4 mt -73.46 -45.2 52.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -44.87 -45.86 10.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.551 ' CZ3' HD12 ' A' ' 52' ' ' LEU . 86.6 t90 -60.57 -47.85 84.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 107.999 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.467 HD21 ' CD1' ' A' ' 52' ' ' LEU . 15.5 mt -51.99 -56.9 11.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.7 t -62.16 -47.36 93.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.86 -52.05 12.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.017 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.421 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 9.5 m-80 -81.18 -19.84 42.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 47' ' ' LEU . 4.1 mmtt 81.67 62.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.551 HD12 ' CZ3' ' A' ' 46' ' ' TRP . 13.1 mt -95.47 -15.09 23.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.436 ' HB ' ' CB ' ' A' ' 58' ' ' GLU . 6.5 m -138.48 -175.01 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -82.3 -29.14 31.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.252 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -169.12 -178.02 3.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.534 ' HD2' ' CG2' ' A' ' 44' ' ' ILE . 0.5 OUTLIER -55.72 -38.28 69.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 58' ' ' GLU . 1.5 tm0? -52.27 -71.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 110.327 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.436 ' CB ' ' HB ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -38.26 -51.54 1.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -50.77 -50.11 38.6 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.442 1.089 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -47.52 -54.04 12.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 0.0 109.343 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 24.9 mtp -58.68 -52.92 63.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.2 mm -55.51 -49.7 71.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.562 ' HB3' ' CD2' ' A' ' 91' ' ' PHE . 5.1 m -41.27 -56.03 2.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.958 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -44.11 -46.49 8.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.0 -39.46 63.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.03 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.485 ' CD2' ' CD1' ' A' ' 11' ' ' LEU . 16.4 mt -67.62 -56.39 9.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.504 HD12 ' CE1' ' A' ' 99' ' ' TYR . 15.9 tp -52.02 -56.72 12.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -38.63 -67.42 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 110.041 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -42.24 -36.37 1.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.332 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 111.49 28.86 3.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.56 1.163 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.644 ' CE1' ' CD2' ' A' ' 12' ' ' TYR . 24.4 m-85 -83.82 -21.1 32.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.766 . . . . 0.0 111.003 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -121.95 121.79 37.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.575 ' CB ' ' CZ ' ' A' ' 100' ' ' TYR . 24.0 mm-40 -96.63 132.64 25.86 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 134.29 17.66 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.528 1.804 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.552 ' HB2' ' CE1' ' A' ' 34' ' ' PHE . . . -138.37 88.02 2.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 115.2 176.85 18.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 79' ' ' SER . 6.3 t0 -56.09 -176.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 0.798 . . . . 0.0 109.348 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.0 mp 64.13 -79.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.4 OUTLIER -48.03 -64.52 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.036 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.59 -64.05 0.57 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.451 ' O ' ' CB ' ' A' ' 84' ' ' ASP . 0.6 OUTLIER -51.68 -44.74 63.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 90' ' ' PRO . . . -42.95 -54.62 4.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.02 48.0 1.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.359 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.451 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 16.8 t70 -116.42 -65.1 1.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 170.89 38.76 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.438 1.086 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.463 ' CD1' ' HA ' ' A' ' 82' ' ' ALA . 11.9 mt -65.48 -78.06 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 0.758 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -136.77 -140.29 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.39 -17.01 25.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -107.78 103.13 48.35 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.471 ' O ' ' CB ' ' A' ' 82' ' ' ALA . 18.2 Cg_endo -75.06 -27.9 9.53 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.562 ' CD2' ' HB3' ' A' ' 63' ' ' SER . 1.8 t80 -79.26 140.25 37.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 94' ' ' SER . 44.5 mt -115.48 109.25 17.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.443 ' OD1' ' NE ' ' A' ' 56' ' ' ARG . 5.0 t70 -68.14 69.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -140.08 149.88 60.02 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.032 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -9.55 20.83 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.792 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.424 ' O ' ' CE1' ' A' ' 98' ' ' PHE . 0.8 OUTLIER -79.3 -66.31 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -42.34 119.94 1.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.424 ' CE1' ' O ' ' A' ' 96' ' ' ASP . 22.5 m-85 -107.52 144.95 33.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.504 ' CE1' HD12 ' A' ' 67' ' ' LEU . 26.5 m-85 -142.87 148.67 37.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.575 ' CZ ' ' CB ' ' A' ' 73' ' ' GLN . 35.1 p90 -138.01 144.33 41.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.558 ' CE1' HD13 ' A' ' 38' ' ' LEU . 14.2 m-85 -69.2 135.12 89.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 66.19 6.02 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.528 1.804 . . . . 0.0 111.03 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -179.86 -39.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.526 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 0.4 OUTLIER -102.65 -38.28 7.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.012 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -60.0 -165.91 0.21 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.56 ' HD2' ' CD1' ' A' ' 100' ' ' TYR . 18.2 Cg_endo -75.0 84.37 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.507 1.793 . . . . 0.0 110.98 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.5 p -85.4 135.68 33.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.997 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 78.7 p -55.21 124.71 17.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 109.994 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.936 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.1 p -94.64 86.94 4.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 110.032 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -113.95 170.59 8.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.97 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 39.68 61.43 1.59 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.543 1.152 . . . . 0.0 110.992 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -143.53 -62.9 0.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.739 . . . . 0.0 109.976 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 43.51 84.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.003 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.69 -86.88 0.34 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 9' ' ' GLY . 5.8 mp -43.81 -62.34 1.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 109.356 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -33.86 -72.94 0.09 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.01 -51.42 5.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 0.747 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.469 HD22 ' CD2' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -55.53 -56.34 21.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.494 ' CG ' ' CD1' ' A' ' 71' ' ' TYR . 34.3 t80 -52.14 -48.12 65.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.9 mt -48.45 -40.24 25.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.48 -48.96 63.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.4 mtt -48.27 -22.76 0.72 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.44 -42.7 74.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.47 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.7 t70 -56.32 114.77 8.31 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -1.13 10.84 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -119.27 -54.1 2.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.27 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -95.58 15.27 20.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.47 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -138.24 -155.52 6.82 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.504 HG13 ' CG ' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -71.84 154.01 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.74 . . . . 0.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -91.43 158.25 16.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -117.81 107.86 14.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.427 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 1.7 mm? -114.28 170.1 8.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -110.79 121.34 45.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -114.84 155.82 26.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -129.5 139.51 51.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -141.99 109.48 5.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 67.98 -72.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' LYS . 3.3 mttt -162.74 41.43 0.11 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -133.63 100.19 4.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.1 t -85.03 97.96 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -81.85 104.01 11.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -93.59 147.56 22.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.486 ' CE1' ' HA2' ' A' ' 109' ' ' GLY . 75.5 m-70 56.79 44.42 23.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.098 . . . . 0.0 109.566 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.7 p -117.32 169.71 9.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 108.323 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.566 HD21 ' CZ ' ' A' ' 101' ' ' PHE . 0.4 OUTLIER -115.39 -149.47 0.45 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.362 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 p -156.25 129.55 8.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.413 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -38.66 -56.18 2.07 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.544 1.153 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.449 ' O ' ' NH2' ' A' ' 56' ' ' ARG . 4.8 t -62.06 -61.22 2.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 0.784 . . . . 0.0 109.993 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -39.75 -46.93 3.07 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 75.4 t -50.49 -58.1 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 56.3 mt -63.88 -26.02 39.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.521 ' N ' HH21 ' A' ' 56' ' ' ARG . 0.9 OUTLIER -70.15 -47.23 62.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.504 ' CG ' HG13 ' A' ' 22' ' ' ILE . 80.8 t90 -59.86 -29.03 68.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 108.003 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.445 HD22 ' CD1' ' A' ' 52' ' ' LEU . 84.2 mt -68.5 -52.76 28.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 49.3 t -68.77 -37.32 77.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.35 -51.29 62.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.983 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.438 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 9.7 m-80 -80.86 -20.83 41.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 8.8 mmtt 84.33 58.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.445 ' CD1' HD22 ' A' ' 47' ' ' LEU . 12.2 mt -93.01 -22.03 19.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.423 ' HB ' ' CB ' ' A' ' 58' ' ' GLU . 34.1 m -131.79 -178.1 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -96.72 -29.44 13.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -152.98 155.31 36.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.521 HH21 ' N ' ' A' ' 45' ' ' ASP . 4.2 mtp180 -43.13 -43.13 4.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 110.346 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.1 tm0? -44.79 -63.19 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.423 ' CB ' ' HB ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -46.08 -49.81 15.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.259 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.48 -44.54 77.68 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.554 1.159 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.3 tp -55.08 -63.68 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 31.6 mtm -45.87 -51.03 13.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 65' ' ' SER . 9.5 mm -57.22 -55.97 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.072 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 91' ' ' PHE . 58.4 m -38.44 -53.84 1.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.014 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.9 -47.68 31.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.2 OUTLIER -56.87 -36.93 70.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.469 ' CD2' HD22 ' A' ' 11' ' ' LEU . 17.7 mt -69.6 -58.03 4.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.542 1.152 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.568 HD12 ' CE1' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -50.06 -59.4 3.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.2 OUTLIER -39.5 -68.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.997 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -38.41 -32.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.334 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 107.38 26.13 5.79 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.534 1.147 . . . . 0.0 110.98 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.494 ' CD1' ' CG ' ' A' ' 12' ' ' TYR . 27.8 m-85 -85.01 -23.9 28.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 111.038 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.7 mt -129.32 110.36 11.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.514 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . 30.0 mm-40 -73.53 130.6 83.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 129.12 12.06 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.538 1.81 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -133.55 163.34 29.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.35 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.47 -123.91 6.98 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -141.41 -56.17 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 0.768 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.475 ' CD1' ' HB3' ' A' ' 96' ' ' ASP . 3.4 mt -41.24 -78.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 109.292 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -38.07 -64.28 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 81' ' ' ASN . 0.4 OUTLIER -42.55 -63.37 0.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 80' ' ' LYS . 0.4 OUTLIER -38.61 -32.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.482 ' CB ' HD11 ' A' ' 92' ' ' LEU . . . -75.37 -59.95 2.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -44.56 -26.76 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.412 ' N ' ' C ' ' A' ' 82' ' ' ALA . 0.4 OUTLIER -56.34 -60.42 3.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 161.44 62.9 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.409 ' CG1' ' HA ' ' A' ' 82' ' ' ALA . 3.7 mm -81.56 -75.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -142.04 -144.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.09 12.67 27.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -136.42 93.7 14.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.434 ' O ' ' CD1' ' A' ' 92' ' ' LEU . 18.4 Cg_endo -75.01 -23.99 13.23 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.479 1.778 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 63' ' ' SER . 5.2 t80 -84.48 127.27 33.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.497 ' CD1' ' N ' ' A' ' 92' ' ' LEU . 2.5 mp -104.37 125.62 50.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 93' ' ' ASP . 21.5 t0 -69.87 59.16 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -148.1 142.17 16.24 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.983 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.613 ' O ' ' CE1' ' A' ' 98' ' ' PHE . 18.3 Cg_endo -74.97 1.24 7.94 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.519 1.8 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.608 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 3.4 m-20 -83.05 -54.93 4.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' A' ' 98' ' ' PHE . . . -42.08 -32.32 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.613 ' CE1' ' O ' ' A' ' 95' ' ' PRO . 22.1 m-85 56.78 156.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.568 ' CE1' HD12 ' A' ' 67' ' ' LEU . 6.9 m-85 -169.0 131.76 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.514 ' CE1' ' HB2' ' A' ' 73' ' ' GLN . 36.7 p90 -135.37 149.83 49.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.566 ' CZ ' HD21 ' A' ' 38' ' ' LEU . 14.6 m-85 -68.62 141.71 93.24 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 75.67 3.65 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.7 t70 178.65 -37.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.32 -84.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.98 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 39.06 -158.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 71.27 5.08 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.482 1.78 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 39.7 t -120.94 -49.67 2.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.976 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.0 m 169.91 -66.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.983 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.486 ' HA2' ' CE1' ' A' ' 36' ' ' HIS . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.4 p -66.33 95.09 0.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 0.761 . . . . 0.0 110.006 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.3 t -128.46 108.98 10.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.72 -147.47 14.74 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.144 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.06 129.6 9.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.988 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.13 -61.43 2.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.956 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.49 -63.76 3.23 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 9' ' ' GLY . 38.8 mt -52.02 -58.57 6.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -36.87 -72.09 0.17 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.96 -43.94 6.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 0.768 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.411 ' HG ' ' N ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -60.39 -55.08 37.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.599 ' CD2' ' CD1' ' A' ' 71' ' ' TYR . 18.6 t80 -52.25 -45.36 65.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.8 mt -52.69 -38.19 60.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.32 -43.88 69.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.016 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 10.6 mtt -53.27 -19.21 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.962 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -72.48 -39.46 67.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.491 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 2.4 t70 -58.38 112.42 4.89 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.01 9.42 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.542 1.812 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -118.84 -54.59 2.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.44 17.51 18.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -138.0 -155.9 6.98 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.411 1.069 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.527 HG13 ' CG ' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -75.19 142.76 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 109.332 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.489 ' HD3' ' N ' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -93.65 138.8 31.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.171 . . . . 0.0 109.327 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.482 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 1.3 pt-20 -109.79 96.62 6.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.335 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.21 155.14 19.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -86.72 130.39 34.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.6 mt -125.87 133.81 51.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -111.71 94.32 4.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 31' ' ' LYS . 16.0 tttp -81.35 99.72 8.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.83 -78.71 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 29' ' ' LYS . 28.6 mmtp -140.64 24.84 2.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.91 94.23 4.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.9 t -83.49 85.25 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -76.35 104.11 6.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -87.27 131.98 34.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 74.15 44.89 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.63 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.1 p -112.21 160.11 17.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 108.313 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.563 HD13 ' CZ ' ' A' ' 101' ' ' PHE . 8.1 mt -117.82 -145.2 0.38 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.499 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 2.3 p -159.62 133.97 7.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -46.08 -50.88 11.87 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.464 1.102 . . . . 0.0 111.051 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.421 ' OG ' ' N ' ' A' ' 42' ' ' GLY . 0.8 OUTLIER -64.56 -60.57 2.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 109.998 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.421 ' N ' ' OG ' ' A' ' 41' ' ' SER . . . -47.65 -37.74 14.17 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 111.039 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 39' ' ' THR . 71.0 t -59.12 -45.11 92.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 109.245 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.7 mt -76.3 -26.31 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -65.11 -44.24 89.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.527 ' CG ' HG13 ' A' ' 22' ' ' ILE . 78.7 t90 -62.8 -33.15 74.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 107.985 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 44.2 mt -63.73 -53.32 52.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 40.5 t -68.56 -44.66 82.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 44.2 p -44.93 -54.22 6.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.426 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 9.4 m-80 -78.81 -20.99 48.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 3.9 mmtt 82.69 60.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.9 mt -92.56 -20.86 20.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.427 ' HB ' ' CB ' ' A' ' 58' ' ' GLU . 29.4 m -130.28 -174.1 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.4 mtt180 -93.24 -24.51 18.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.36 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.436 ' OD1' ' CB ' ' A' ' 57' ' ' GLN . 1.1 p30 -165.05 178.77 6.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -38.53 81.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.436 ' CB ' ' OD1' ' A' ' 55' ' ' ASN . 5.3 tm0? -49.67 -66.61 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.427 ' CB ' ' HB ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -41.8 -50.82 4.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.272 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.98 -51.46 53.51 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -45.3 -46.23 12.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.776 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 18.1 mtm -69.0 -58.14 4.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 65' ' ' SER . 4.8 mm -49.92 -52.51 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.552 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 3.9 m -40.11 -49.41 2.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.035 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -53.94 -46.27 71.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -57.09 -35.86 69.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.97 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 29.1 mt -68.01 -56.52 8.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.571 HD13 ' CE1' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -55.06 -59.25 5.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -38.69 -65.48 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.927 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -40.29 -37.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 113.52 18.02 7.28 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.599 ' CD1' ' CD2' ' A' ' 12' ' ' TYR . 31.1 m-85 -78.14 -15.88 58.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.766 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.1 mt -139.69 119.49 13.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -91.33 143.44 28.26 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.62 36.88 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.522 1.801 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.38 114.07 4.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 128.19 -117.55 2.59 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -140.78 -60.32 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 109.321 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.8 mp -41.42 -73.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.443 ' HB2' ' CE1' ' A' ' 99' ' ' TYR . 2.6 p -42.16 -51.98 4.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.024 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -51.11 -64.54 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.413 ' O ' ' CB ' ' A' ' 84' ' ' ASP . 0.3 OUTLIER -44.79 -44.44 9.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' A' ' 90' ' ' PRO . . . -51.98 -63.54 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -42.9 -40.63 3.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.413 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 6.8 t0 -48.52 -44.77 36.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.465 ' O ' ' HB ' ' A' ' 86' ' ' ILE . . . 164.34 -86.03 0.1 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.465 ' HB ' ' O ' ' A' ' 85' ' ' GLY . 9.7 mt 70.37 -53.1 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.774 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -166.51 -132.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.54 15.38 20.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -137.46 107.04 8.49 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.424 ' O ' ' CB ' ' A' ' 82' ' ' ALA . 18.5 Cg_endo -74.89 -44.45 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.468 1.773 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.552 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 2.5 t80 -66.56 145.01 56.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 94' ' ' SER . 51.6 mt -125.42 112.02 15.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -67.86 70.22 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -145.89 147.39 32.19 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.972 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -10.21 21.04 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.468 1.773 . . . . 0.0 110.978 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.479 ' O ' ' CZ ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -74.24 -45.79 45.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.31 130.28 42.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.479 ' CZ ' ' O ' ' A' ' 96' ' ' ASP . 12.9 m-85 -118.11 137.48 52.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.077 . . . . 0.0 111.032 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.571 ' CE1' HD13 ' A' ' 67' ' ' LEU . 51.6 m-85 -134.71 150.71 50.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.494 ' CD2' ' HA3' ' A' ' 105' ' ' GLY . 31.1 p90 -140.81 152.71 45.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.563 ' CZ ' HD13 ' A' ' 38' ' ' LEU . 32.2 m-85 -71.65 146.11 90.69 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 75.95 3.55 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.539 1.81 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 177.38 -39.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 105' ' ' GLY . 0.6 OUTLIER -95.86 -76.77 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.025 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.494 ' HA3' ' CD2' ' A' ' 100' ' ' TYR . . . 37.71 -155.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.463 1.102 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -37.2 2.12 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.522 1.801 . . . . 0.0 110.981 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 7.8 m -63.54 90.75 0.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.977 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.92 -61.93 1.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.014 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.101 . . . . 0.0 110.995 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t -83.81 118.73 24.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.76 . . . . 0.0 110.005 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 m -142.46 148.86 38.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.05 -111.6 0.47 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.18 123.12 49.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.76 . . . . 0.0 110.014 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -42.51 156.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.987 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.83 -60.05 4.67 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.458 ' O ' ' C ' ' A' ' 9' ' ' GLY . 46.9 mt -57.01 -61.26 2.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 0.725 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -33.09 -72.6 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.451 1.094 . . . . 0.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.08 -43.49 14.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.498 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -60.62 -54.34 46.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.266 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.567 ' CD2' ' CD1' ' A' ' 71' ' ' TYR . 20.4 t80 -52.97 -45.72 67.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.4 mt -50.17 -42.45 51.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -62.27 -57.35 11.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 109.969 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.605 ' SD ' ' CE3' ' A' ' 46' ' ' TRP . 3.9 mmt -37.55 -40.92 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -52.65 -50.1 63.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.511 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.6 t70 -49.94 119.3 9.93 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -5.8 17.25 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.503 1.791 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -115.94 -53.78 2.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 mttp -93.1 12.72 23.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.511 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -140.43 -155.09 6.42 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.129 . . . . 0.0 111.024 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.515 HG13 ' CG ' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -72.34 159.2 5.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 0.766 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.58 -175.99 6.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -149.53 104.0 3.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.459 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 1.4 mm? -113.42 165.59 12.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.445 ' ND2' ' H ' ' A' ' 26' ' ' ASN . 1.7 p30 -96.23 91.42 5.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.7 mt -79.62 106.57 11.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.469 ' CG ' ' HB ' ' A' ' 33' ' ' VAL . 54.3 tt0 -115.86 106.77 14.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.519 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 14.3 tttp -156.66 132.16 9.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.519 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 3.5 t0 82.94 29.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.13 58.92 1.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.278 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -176.61 122.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.469 ' HB ' ' CG ' ' A' ' 28' ' ' GLU . 2.0 p -111.01 112.63 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -91.76 102.18 14.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.96 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -75.03 127.02 32.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 76.48 37.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.621 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.499 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 0.8 OUTLIER -102.46 172.26 6.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 108.298 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.563 HD12 ' CZ ' ' A' ' 101' ' ' PHE . 1.0 OUTLIER -139.37 -154.19 0.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' A' ' 38' ' ' LEU . 13.2 p -158.23 139.41 13.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.415 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.78 -29.0 32.5 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.8 t -80.63 -43.8 19.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 110.0 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.38 -50.62 20.49 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.482 ' CG2' ' N ' ' A' ' 44' ' ' ILE . 15.1 m -43.24 -55.2 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 0.785 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.508 ' CG2' ' HD2' ' A' ' 56' ' ' ARG . 72.9 mt -57.31 -45.3 85.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -47.15 -40.93 16.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.605 ' CE3' ' SD ' ' A' ' 15' ' ' MET . 79.6 t90 -70.41 -35.88 73.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 108.03 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.465 HD23 ' CD1' ' A' ' 52' ' ' LEU . 96.2 mt -61.78 -49.84 74.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 51' ' ' LYS . 58.3 t -71.15 -46.2 67.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.19 -49.64 6.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.034 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.466 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 15.2 m-80 -78.49 -24.27 45.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.466 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 8.3 mmtt 86.27 44.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.465 ' CD1' HD23 ' A' ' 47' ' ' LEU . 10.2 mt -73.39 -33.52 65.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.4 m -117.93 -172.55 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -100.93 -26.68 13.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.286 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -147.96 172.81 13.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.508 ' HD2' ' CG2' ' A' ' 44' ' ' ILE . 0.2 OUTLIER -64.15 -42.82 96.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 60' ' ' LEU . 4.3 tt0 -51.17 -64.82 0.69 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 57' ' ' GLN . 1.1 tt0 -38.69 -50.14 1.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.31 -43.08 75.45 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 57' ' ' GLN . 1.2 tm? -53.39 -51.02 63.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 42.6 mtm -60.86 -57.4 12.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.152 . . . . 0.0 111.032 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 50.0 mm -47.59 -49.77 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.577 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 3.1 m -43.52 -54.33 4.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.007 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.89 -45.08 15.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.91 -35.95 73.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.965 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.461 ' CD2' HD11 ' A' ' 11' ' ' LEU . 41.9 mt -70.22 -58.08 4.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.555 HD12 ' CE1' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -52.99 -58.46 6.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 t -41.11 -64.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.97 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -40.65 -37.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.332 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 112.63 26.5 4.17 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.432 1.082 . . . . 0.0 110.964 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.567 ' CD1' ' CD2' ' A' ' 12' ' ' TYR . 33.4 m-85 -87.87 -15.03 37.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.0 mt -138.78 118.83 13.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.349 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -92.01 141.89 25.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.331 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 146.31 32.56 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.801 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -130.29 100.07 5.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 125.53 -163.27 19.56 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.536 1.148 . . . . 0.0 110.994 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.51 -34.54 10.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 0.784 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.37 -61.9 2.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.0 p -55.47 -19.47 9.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.956 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.0 -63.77 1.34 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -41.31 -49.42 3.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 109.258 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.4 ' CB ' HD12 ' A' ' 92' ' ' LEU . . . -52.63 -55.35 23.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.09 49.08 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -134.69 -59.85 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -177.39 34.65 0.08 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.2 mm -68.83 -64.17 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.494 0.761 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -156.22 -142.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.13 -13.97 26.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.276 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -108.52 101.24 42.14 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -20.66 16.62 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.511 1.796 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 1.3 t80 -88.88 142.01 28.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 94' ' ' SER . 67.7 mt -120.14 109.03 14.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.42 ' OD1' ' NH1' ' A' ' 56' ' ' ARG . 14.7 t0 -68.69 67.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -141.12 149.05 54.19 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.038 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -9.98 21.08 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.494 1.786 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.572 ' O ' ' CE2' ' A' ' 98' ' ' PHE . 2.5 m-20 -76.71 -48.82 17.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.53 132.54 53.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.572 ' CE2' ' O ' ' A' ' 96' ' ' ASP . 27.4 m-85 -118.38 143.72 46.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.555 ' CE1' HD12 ' A' ' 67' ' ' LEU . 36.8 m-85 -140.8 148.58 40.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -141.8 145.29 34.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 111.045 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.563 ' CZ ' HD12 ' A' ' 38' ' ' LEU . 18.2 m-85 -65.27 143.05 98.69 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 101' ' ' PHE . 18.3 Cg_endo -75.02 76.84 3.29 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.452 1.764 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.9 t70 176.24 -38.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.34 -82.88 0.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.984 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 46.68 -160.9 0.24 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.46 ' O ' ' CB ' ' A' ' 107' ' ' SER . 18.4 Cg_endo -75.04 162.03 37.69 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.521 1.801 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 106' ' ' PRO . 0.3 OUTLIER 82.24 143.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 49.1 p -114.84 -59.69 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.001 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.115 . . . . 0.0 111.014 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.8 p -41.92 -50.8 4.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 110.025 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.29 174.12 10.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.092 . . . . 0.0 110.048 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.19 101.53 0.33 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.56 1.162 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.1 m -164.28 -55.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 0.743 . . . . 0.0 109.986 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.69 78.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.992 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.95 -64.07 0.58 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 9' ' ' GLY . 66.5 mt -59.86 -58.66 7.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 0.746 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -36.73 -72.26 0.16 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.24 -46.69 6.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 0.782 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.431 ' HG ' ' N ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -58.34 -55.51 34.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.583 ' CD2' ' CD1' ' A' ' 71' ' ' TYR . 21.4 t80 -52.72 -45.84 67.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 45.5 mt -52.47 -35.32 52.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.46 -47.98 62.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.995 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.5 mtt -50.63 -20.55 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.54 -34.76 65.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.425 ' HB3' ' N ' ' A' ' 21' ' ' GLY . 1.6 t70 -61.74 117.96 33.53 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -2.27 12.31 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -121.23 -53.09 2.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 110.309 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.17 22.66 8.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.425 ' N ' ' HB3' ' A' ' 17' ' ' ASP . . . -141.52 -156.27 6.75 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.564 1.165 . . . . 0.0 111.052 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.533 HG13 ' CG ' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -69.06 159.14 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.455 0.738 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -82.43 -176.34 6.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -152.45 102.81 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.315 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.442 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -122.75 161.85 23.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.448 ' OD1' ' ND2' ' A' ' 35' ' ' ASN . 2.5 m-80 -97.83 118.32 34.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 mt -109.72 118.85 37.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -104.59 100.09 9.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.326 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -97.75 -91.15 0.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.426 ' C ' ' N ' ' A' ' 32' ' ' LYS . 1.0 OUTLIER -91.86 81.96 5.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER 40.01 30.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 109.329 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.426 ' N ' ' C ' ' A' ' 30' ' ' ASP . 5.6 mtpt -118.8 110.08 16.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 79.6 t -87.91 77.41 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.403 ' CZ ' ' HB3' ' A' ' 32' ' ' LYS . 70.0 m-85 -71.19 101.54 2.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.448 ' ND2' ' OD1' ' A' ' 26' ' ' ASN . 8.5 m120 -89.97 157.89 17.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 41.77 50.78 4.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.593 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 99.3 m -123.11 161.14 24.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 108.281 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.566 HD13 ' CZ ' ' A' ' 101' ' ' PHE . 0.4 OUTLIER -119.41 -151.56 0.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 40' ' ' GLY . 1.4 t -172.42 148.47 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.533 ' HA2' ' CE1' ' A' ' 91' ' ' PHE . . . -36.6 -54.56 1.36 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 42' ' ' GLY . 3.3 t -59.8 -74.64 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 0.783 . . . . 0.0 109.993 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 41' ' ' SER . . . -35.97 -46.37 0.92 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.105 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 55.7 t -54.69 -64.29 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.434 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 48.3 mt -58.06 -38.15 65.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.452 ' O ' ' CB ' ' A' ' 49' ' ' SER . 8.5 t0 -52.79 -41.37 64.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.533 ' CG ' HG13 ' A' ' 22' ' ' ILE . 80.5 t90 -65.36 -39.36 92.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 108.017 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.434 ' CD1' ' HA ' ' A' ' 44' ' ' ILE . 23.0 mt -60.73 -59.7 4.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.405 ' O ' ' CE ' ' A' ' 51' ' ' LYS . 73.7 t -62.42 -42.41 95.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 45' ' ' ASP . 3.2 m -48.5 -54.35 14.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -82.43 -16.05 50.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' LEU . 3.1 mmtp 78.84 63.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 47' ' ' LEU . 14.2 mt -92.88 -11.26 33.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.415 ' HB ' ' CB ' ' A' ' 58' ' ' GLU . 6.0 m -138.52 -173.27 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -92.43 -24.27 18.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -163.57 172.83 13.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -54.92 -42.64 72.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.268 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 60' ' ' LEU . 5.8 tm0? -48.89 -65.72 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.415 ' CB ' ' HB ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -40.23 -49.69 2.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.092 . . . . 0.0 110.276 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -55.7 -43.56 86.48 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.5 OUTLIER -52.84 -51.71 59.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 109.302 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.9 mtm -62.75 -52.79 61.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 65' ' ' SER . 7.5 mm -55.31 -52.11 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.562 ' HB3' ' CD2' ' A' ' 91' ' ' PHE . 12.6 m -40.05 -49.1 2.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 110.011 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.24 -48.43 62.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -52.46 -38.9 60.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.048 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 27.9 mt -69.69 -54.87 11.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' A' ' 90' ' ' PRO . 0.3 OUTLIER -54.19 -59.57 4.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.419 ' N ' HD11 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -39.26 -67.32 0.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 68' ' ' SER . 35.0 mm-40 -38.07 -32.95 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 108.95 2.04 31.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.137 . . . . 0.0 110.95 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.583 ' CD1' ' CD2' ' A' ' 12' ' ' TYR . 27.5 m-85 -58.01 -15.66 9.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 0.788 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.9 mt -134.61 131.43 37.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -102.33 131.85 22.08 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.234 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 144.86 30.72 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.447 1.761 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -132.58 128.8 37.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 114.01 -99.38 0.96 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.432 1.083 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -171.8 -46.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.759 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 81' ' ' ASN . 0.4 OUTLIER -44.84 -87.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 99' ' ' TYR . 0.7 OUTLIER -39.36 -31.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.96 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.416 ' N ' ' C ' ' A' ' 78' ' ' LEU . 0.1 OUTLIER -63.48 -54.46 36.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 78' ' ' LEU . 32.8 m-20 -50.39 -23.67 2.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.465 ' CB ' HD11 ' A' ' 92' ' ' LEU . . . -73.68 -50.92 18.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.6 27.48 2.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -99.4 -20.08 16.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 86' ' ' ILE . . . 152.93 -20.28 0.76 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.414 ' O ' ' HB2' ' A' ' 87' ' ' ALA . 3.5 mm -39.38 -58.55 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 0.787 . . . . 0.0 109.261 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 86' ' ' ILE . . . 70.49 -179.06 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.519 ' O ' ' CB ' ' A' ' 89' ' ' ASN . 0.1 OUTLIER 78.37 -8.28 1.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 88' ' ' GLU . 0.8 OUTLIER 154.0 87.45 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.465 ' HB2' ' CD1' ' A' ' 67' ' ' LEU . 18.4 Cg_endo -75.02 -16.75 20.0 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.56 1.821 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.562 ' CD2' ' HB3' ' A' ' 63' ' ' SER . 4.5 t80 -99.46 127.65 45.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.563 ' CD1' ' N ' ' A' ' 92' ' ' LEU . 1.3 mp -102.78 116.32 32.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -74.9 59.51 0.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.61 155.0 78.58 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.966 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 0.42 8.91 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.482 1.78 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -87.59 -64.32 1.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -45.63 103.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -101.2 127.53 47.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 79' ' ' SER . 34.1 m-85 -123.28 155.95 36.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -143.92 145.05 32.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.566 ' CZ ' HD13 ' A' ' 38' ' ' LEU . 23.6 m-85 -62.71 148.99 90.27 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 2.19 6.88 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -126.15 26.36 6.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 101' ' ' PHE . 0.3 OUTLIER -177.98 155.97 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.02 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 157.11 -150.77 22.02 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -52.7 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.495 1.787 . . . . 0.0 111.033 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.2 p 67.29 116.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.011 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.68 -83.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.962 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.55 -56.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 0.76 . . . . 0.0 109.972 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.08 167.99 2.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.005 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.419 ' O ' ' CB ' ' A' ' 5' ' ' SER . . . -70.53 123.59 11.81 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 0.1 OUTLIER 165.89 -43.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 0.733 . . . . 0.0 109.957 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 52.02 67.91 0.89 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.022 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.06 -70.33 0.38 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.56 1.162 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 9' ' ' GLY . 26.4 mt -53.94 -48.36 70.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 0.753 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.484 ' O ' ' CD1' ' A' ' 13' ' ' LEU . . . -35.58 -78.6 0.04 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -41.25 -45.23 2.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 0.751 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.529 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -57.44 -52.82 63.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.445 ' HB3' ' O ' ' A' ' 9' ' ' GLY . 25.9 t80 -55.64 -46.53 77.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.484 ' CD1' ' O ' ' A' ' 9' ' ' GLY . 8.0 mp -48.04 -39.07 18.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.17 -53.38 38.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.023 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.511 ' HG2' ' CZ3' ' A' ' 46' ' ' TRP . 14.5 mtp -44.47 -25.35 0.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 110.958 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.76 -47.69 71.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.512 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 2.3 t0 -50.76 115.8 6.24 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -2.37 12.45 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.48 1.779 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -117.37 -54.75 2.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.283 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -94.33 12.41 27.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.512 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -140.36 -155.73 6.64 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.484 HG13 ' CG ' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -68.68 157.43 6.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 0.775 . . . . 0.0 109.26 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -86.98 179.04 6.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -146.67 103.79 3.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.325 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.22 164.56 15.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -101.27 116.72 33.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.4 mt -112.93 177.83 4.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.11 173.07 12.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.9 tptt -144.61 -67.16 0.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.37 -62.26 1.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.6 pttm -166.93 44.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.36 101.61 4.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.5 t -65.26 87.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -70.51 104.12 2.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -87.52 158.05 19.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 42.73 74.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.617 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -139.19 168.78 19.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 108.296 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.525 ' O ' ' CG2' ' A' ' 39' ' ' THR . 2.2 mt -123.21 -153.6 0.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.525 ' CG2' ' O ' ' A' ' 38' ' ' LEU . 1.6 p -161.66 135.23 6.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 110.46 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -37.23 -48.03 1.5 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.41 -46.89 59.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 0.752 . . . . 0.0 110.003 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.54 -52.38 50.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 76.5 t -43.22 -52.79 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.536 0.786 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.482 ' CG2' ' HD2' ' A' ' 56' ' ' ARG . 22.9 mt -67.24 -45.6 85.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 49' ' ' SER . 27.3 t0 -40.72 -47.11 2.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.69 ' CZ3' ' CD1' ' A' ' 52' ' ' LEU . 61.6 t90 -60.57 -58.37 8.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.117 . . . . 0.0 108.015 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.48 ' CD1' ' HA ' ' A' ' 44' ' ' ILE . 4.2 mt -46.18 -44.44 16.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 13.3 t -72.76 -30.76 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 46' ' ' TRP . 0.3 OUTLIER -70.63 -46.75 62.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.005 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.623 ' ND2' ' CD2' ' A' ' 46' ' ' TRP . 6.9 p30 -82.13 -21.77 36.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' LEU . 7.5 mmtt 81.82 36.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.69 ' CD1' ' CZ3' ' A' ' 46' ' ' TRP . 9.3 mt -69.12 -20.03 64.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.43 ' HB ' ' CB ' ' A' ' 58' ' ' GLU . 18.1 m -130.07 -172.68 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.9 mmt-85 -97.38 -26.99 14.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -164.97 159.92 18.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.24 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.482 ' HD2' ' CG2' ' A' ' 44' ' ' ILE . 0.6 OUTLIER -40.94 -46.39 2.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.1 tm0? -43.92 -63.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.43 ' CB ' ' HB ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -46.28 -49.0 17.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -55.37 -42.31 82.67 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.95 -50.79 63.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 24.8 mtm -65.2 -51.95 57.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 111.043 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.6 mm -55.33 -43.57 71.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.572 ' HB3' ' CD2' ' A' ' 91' ' ' PHE . 3.7 m -50.05 -51.13 44.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.973 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.97 -46.04 78.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.32 -35.19 67.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.997 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.472 ' CD2' HD11 ' A' ' 11' ' ' LEU . 42.8 mt -72.74 -57.11 4.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.548 HD13 ' CE1' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -52.63 -55.81 19.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t -39.89 -66.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 109.975 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -41.37 -33.02 0.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 0.0 110.253 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 109.73 21.64 7.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -79.64 -17.59 53.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.8 mt -132.7 118.83 19.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.519 ' HB2' ' CE2' ' A' ' 100' ' ' TYR . 33.6 mm-40 -92.35 139.82 24.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.36 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 143.23 28.91 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.448 1.762 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -131.82 105.0 7.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 123.9 -149.69 16.92 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.21 -45.56 3.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.778 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.7 tt -47.3 -71.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.51 ' HB2' ' CE1' ' A' ' 99' ' ' TYR . 78.5 p -45.08 -50.42 11.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.031 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -44.43 -59.54 2.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -53.15 -45.1 68.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.96 -55.66 13.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.06 54.94 2.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -135.48 -58.9 0.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 176.18 38.23 0.05 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.453 1.096 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.407 HG22 ' N ' ' A' ' 87' ' ' ALA . 4.5 mm -68.05 -68.72 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 0.778 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.407 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -147.25 -145.03 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.301 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.09 9.39 36.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -135.34 110.74 10.65 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.44 ' HB2' ' CD2' ' A' ' 67' ' ' LEU . 18.5 Cg_endo -74.96 -31.71 6.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.455 1.766 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 63' ' ' SER . 6.9 t80 -81.8 146.0 30.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 94' ' ' SER . 60.1 mt -124.61 111.36 15.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.423 ' OD1' ' NH2' ' A' ' 56' ' ' ARG . 24.2 t0 -68.18 70.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -139.19 147.77 54.57 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.014 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -7.13 18.91 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.442 1.759 . . . . 0.0 111.046 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.579 ' O ' ' CE2' ' A' ' 98' ' ' PHE . 5.8 m-20 -82.49 -59.83 2.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -48.49 129.35 16.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.579 ' CE2' ' O ' ' A' ' 96' ' ' ASP . 20.4 m-85 -116.18 146.81 42.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.548 ' CE1' HD13 ' A' ' 67' ' ' LEU . 62.5 m-85 -148.26 159.92 43.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.519 ' CE2' ' HB2' ' A' ' 73' ' ' GLN . 39.0 p90 -147.99 171.38 15.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 111.051 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.429 ' CZ ' HD12 ' A' ' 38' ' ' LEU . 14.0 m-85 -89.92 142.57 29.05 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 71.31 5.08 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.488 1.783 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -177.57 -39.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.18 -74.49 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.968 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 42.8 -160.83 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.116 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 150.33 38.16 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.79 145.7 28.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.026 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.6 102.52 11.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.031 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.963 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -84.51 101.8 12.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.751 . . . . 0.0 110.025 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.9 m -70.58 152.74 43.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.016 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.77 155.53 26.58 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.1 t -107.74 29.12 7.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 0.797 . . . . 0.0 109.985 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.19 82.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.99 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.55 -56.34 0.5 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 11' ' ' LEU . 32.8 mt -59.68 -61.36 2.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -34.46 -69.48 0.19 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.36 -41.74 39.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 0.793 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.563 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -61.52 -50.03 74.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.563 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 22.3 t80 -58.12 -48.76 79.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 32.4 mt -45.99 -43.34 14.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -62.26 -59.7 4.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.043 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 8.4 mtt -40.33 -40.1 1.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -45.47 73.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 14' ' ' SER . 0.4 OUTLIER -52.57 119.11 14.56 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.254 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -3.02 13.31 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -121.82 -52.94 1.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -93.27 16.4 13.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.434 ' N ' ' HB3' ' A' ' 17' ' ' ASP . . . -137.35 -152.76 6.2 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.514 1.133 . . . . 0.0 111.027 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.535 HG13 ' CG ' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -74.07 157.33 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -74.96 -178.53 3.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -150.55 98.27 2.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.78 165.05 17.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -89.57 131.07 35.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.0 mt -137.65 101.81 4.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.61 155.9 16.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -108.22 -24.96 11.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.5 t0 177.83 83.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.6 mttp 81.66 -52.12 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.5 mttp -61.82 97.13 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.6 t -84.21 127.58 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.541 ' CE1' ' HB3' ' A' ' 75' ' ' ALA . 30.2 m-85 -107.73 101.75 11.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 36' ' ' HIS . 1.6 m-20 -79.38 164.19 24.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 35' ' ' ASN . 80.6 m-70 39.36 64.65 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.605 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.0 169.96 12.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.108 . . . . 0.0 108.273 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.57 HD11 ' CZ ' ' A' ' 101' ' ' PHE . 0.8 OUTLIER -127.77 -154.49 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.514 ' CG2' ' O ' ' A' ' 38' ' ' LEU . 1.4 p -161.63 125.28 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.412 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -46.7 -25.7 2.35 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 t -84.08 -44.37 14.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 0.764 . . . . 0.0 110.008 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.98 -46.46 36.53 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.492 ' CG2' ' N ' ' A' ' 44' ' ' ILE . 13.4 m -45.87 -55.32 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.773 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.492 ' N ' ' CG2' ' A' ' 43' ' ' VAL . 75.7 mt -55.47 -37.35 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -60.49 -36.23 77.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.535 ' CG ' HG13 ' A' ' 22' ' ' ILE . 83.3 t90 -72.87 -28.61 62.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 107.973 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.482 HD23 ' CD1' ' A' ' 52' ' ' LEU . 91.9 mt -68.64 -49.05 62.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.0 t -72.46 -37.51 57.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.4 ' HB2' ' HA ' ' A' ' 46' ' ' TRP . 0.4 OUTLIER -51.85 -50.03 61.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.413 ' C ' ' CD ' ' A' ' 51' ' ' LYS . 15.1 m-80 -82.25 -14.36 55.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.413 ' CD ' ' C ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER 76.21 57.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.482 ' CD1' HD23 ' A' ' 47' ' ' LEU . 11.8 mt -88.96 -20.27 24.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 2.4 m -134.39 -173.81 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.5 mtt85 -98.0 -26.93 14.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -149.91 167.49 26.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.439 ' HG2' ' CG2' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -58.16 -44.5 87.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 110.273 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 60' ' ' LEU . 4.1 tt0 -46.77 -63.44 1.02 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.467 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 1.9 mt-10 -39.33 -48.68 1.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -56.67 -44.52 91.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.571 1.17 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 57' ' ' GLN . 1.2 tm? -51.38 -54.19 29.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 15.2 mtm -59.7 -56.89 16.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 63' ' ' SER . 32.0 mm -48.05 -55.06 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.582 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 2.7 m -38.1 -53.83 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.952 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -42.91 -53.37 4.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.8 -44.79 59.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.021 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.448 ' CD1' HD12 ' A' ' 11' ' ' LEU . 2.7 mm? -64.12 -57.07 10.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.4 OUTLIER -50.37 -61.32 2.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.2 -64.71 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.948 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -39.24 -34.04 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.266 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 111.35 -4.12 28.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.445 ' CD1' ' CG ' ' A' ' 12' ' ' TYR . 32.8 m-85 -51.39 -19.98 1.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.3 mt -130.63 123.71 30.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -96.36 131.49 28.42 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 143.28 28.91 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.532 1.806 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.541 ' HB3' ' CE1' ' A' ' 34' ' ' PHE . . . -132.84 114.78 14.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 126.8 -125.79 5.48 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -140.03 -48.94 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.749 . . . . 0.0 109.268 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.403 ' CD2' ' N ' ' A' ' 79' ' ' SER . 4.9 tt -46.04 -70.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 82' ' ' ALA . 6.7 p -48.65 -55.37 11.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.993 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -46.39 -49.54 17.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -64.11 -30.38 71.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 79' ' ' SER . . . -68.86 -25.25 64.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.262 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.13 -24.67 15.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.58 -66.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 171.78 59.91 0.04 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.447 ' CG2' ' N ' ' A' ' 87' ' ' ALA . 3.7 mm -78.18 -78.75 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.447 ' N ' ' CG2' ' A' ' 86' ' ' ILE . . . -130.09 -142.44 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.11 -17.54 24.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -109.53 107.6 59.46 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -32.5 5.38 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.49 1.784 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 1.3 t80 -78.56 143.88 36.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 94' ' ' SER . 65.5 mt -123.82 109.77 14.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -66.93 71.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -145.67 148.58 37.08 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.025 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 0.78 8.49 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.521 1.8 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.416 ' O ' ' CE1' ' A' ' 98' ' ' PHE . 0.2 OUTLIER -89.23 -52.03 5.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.24 106.15 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.416 ' CE1' ' O ' ' A' ' 96' ' ' ASP . 17.8 m-85 -94.84 148.68 22.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 38' ' ' LEU . 59.8 m-85 -149.56 150.03 31.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -140.4 148.74 41.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 110.972 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.57 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 26.1 m-85 -66.98 151.08 97.49 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 60.84 5.54 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.453 1.765 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -177.57 -39.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.2 t -107.07 139.69 41.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 156.36 -156.42 27.1 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 156.69 42.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 m 178.27 103.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.998 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.86 -49.79 10.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.02 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.3 p -149.88 81.91 1.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 109.997 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.1 p -148.71 151.95 35.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.963 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.07 -57.27 1.85 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.13 . . . . 0.0 110.966 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.8 p -39.34 -49.64 1.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 0.736 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.0 p 44.05 70.27 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.013 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.24 -64.68 0.44 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.452 HD23 ' CD2' ' A' ' 66' ' ' LEU . 64.3 mt -61.0 -55.19 35.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 0.789 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -34.51 -74.38 0.08 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.51 -43.45 5.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.479 ' CD1' ' SD ' ' A' ' 15' ' ' MET . 0.8 OUTLIER -61.2 -50.49 72.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 13' ' ' LEU . 54.8 t80 -59.44 -50.61 73.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 12' ' ' TYR . 59.5 mt -36.26 -40.92 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.464 ' O ' ' HA3' ' A' ' 21' ' ' GLY . 0.4 OUTLIER -73.1 -63.54 1.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.025 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.591 ' HG2' ' CZ3' ' A' ' 46' ' ' TRP . 86.5 mtp -49.45 -23.65 1.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.961 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.415 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -92.1 25.29 2.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.498 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 0.6 OUTLIER -124.15 117.92 26.8 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 1.47 7.71 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.529 1.805 . . . . 0.0 110.962 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -110.52 -54.91 2.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.6 mmtt -115.76 32.92 5.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.498 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -140.72 -163.99 9.74 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.53 HG13 ' CG ' ' A' ' 46' ' ' TRP . 0.2 OUTLIER -60.69 164.2 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.522 0.777 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.57 147.49 24.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -108.48 125.53 51.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 mt -138.23 154.74 49.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -83.1 136.87 34.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 39.9 mt -131.43 104.15 6.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.495 ' CG ' ' HB ' ' A' ' 33' ' ' VAL . 29.6 tt0 -110.93 127.89 55.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.427 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 11.1 tttp -155.21 142.07 19.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER 76.78 -69.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.8 mttp 176.31 55.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -171.5 121.24 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.495 ' HB ' ' CG ' ' A' ' 28' ' ' GLU . 2.1 p -103.95 100.13 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -77.23 101.25 6.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -68.33 141.45 55.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 51.3 76.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.623 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.57 170.93 13.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 108.326 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.514 ' CD2' ' CG2' ' A' ' 22' ' ' ILE . 1.0 OUTLIER -132.16 -152.31 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.513 ' CG2' ' O ' ' A' ' 38' ' ' LEU . 1.9 p -160.86 137.51 8.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.44 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.62 -27.64 55.15 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.6 t -81.82 -39.21 24.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 0.0 110.024 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.427 ' O ' ' CB ' ' A' ' 45' ' ' ASP . . . -75.74 -47.36 12.07 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.543 1.152 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.502 ' CG1' ' O ' ' A' ' 39' ' ' THR . 14.1 m -48.02 -55.34 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.558 0.799 . . . . 0.0 109.254 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.49 ' N ' ' CG2' ' A' ' 43' ' ' VAL . 77.4 mt -53.75 -31.56 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 42' ' ' GLY . 3.6 t0 -63.83 -44.96 91.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.591 ' CZ3' ' HG2' ' A' ' 15' ' ' MET . 48.4 t90 -65.19 -29.43 70.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 108.022 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.469 HD22 ' CD1' ' A' ' 52' ' ' LEU . 95.7 mt -67.31 -49.79 62.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.6 t -72.56 -43.15 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.05 -50.0 15.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.984 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.446 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 14.0 m-80 -78.36 -22.06 48.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 3.5 mmtt 84.6 53.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.469 ' CD1' HD22 ' A' ' 47' ' ' LEU . 11.9 mt -85.5 -29.79 23.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.489 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 1.9 m -126.41 -172.89 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -96.97 -26.75 14.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -154.56 154.85 33.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.476 ' HD2' ' CG2' ' A' ' 44' ' ' ILE . 0.4 OUTLIER -45.4 -45.93 13.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.267 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 60' ' ' LEU . 2.4 tt0 -44.24 -62.8 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 0.0 110.339 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.489 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 1.9 mt-10 -42.0 -47.09 4.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -56.54 -40.59 87.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.44 1.088 . . . . 0.0 111.018 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 57' ' ' GLN . 1.2 tm? -52.44 -56.82 12.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 109.374 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 18.9 mtm -58.25 -55.29 36.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 63' ' ' SER . 38.1 mm -50.47 -54.54 8.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 91' ' ' PHE . 3.6 m -37.75 -56.48 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.012 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -41.88 -51.28 4.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -50.34 -41.19 50.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.025 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.461 ' CD2' ' N ' ' A' ' 66' ' ' LEU . 1.0 OUTLIER -67.76 -56.39 9.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.524 HD13 ' CE1' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -53.08 -56.87 12.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -38.68 -67.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.967 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -40.68 -37.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 114.57 12.05 10.95 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -67.74 -23.45 65.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 0.773 . . . . 0.0 111.018 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.3 mt -128.38 116.26 19.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.569 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . 29.3 mm-40 -87.29 139.47 32.1 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 146.33 32.43 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.486 1.782 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -137.38 101.62 4.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.35 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.77 167.55 36.36 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -54.92 -169.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 0.776 . . . . 0.0 109.282 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.442 ' CD2' HD21 ' A' ' 92' ' ' LEU . 0.7 OUTLIER 70.82 -76.03 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.556 ' HB3' ' CE1' ' A' ' 99' ' ' TYR . 23.3 m -62.77 -49.72 73.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.028 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -54.2 48.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.441 ' O ' ' CB ' ' A' ' 84' ' ' ASP . 20.1 m120 -48.73 -29.05 4.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.481 ' CB ' HD11 ' A' ' 92' ' ' LEU . . . -65.17 -62.81 1.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.6 -22.92 3.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.441 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 15.7 t0 -47.54 -65.42 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 157.79 42.45 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.472 1.108 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.468 ' CD1' ' HA ' ' A' ' 82' ' ' ALA . 13.2 mt -63.8 -79.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.515 0.773 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -136.08 -142.5 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.87 10.4 41.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.297 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -128.43 86.76 56.95 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.247 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.489 ' O ' ' CD1' ' A' ' 92' ' ' LEU . 18.3 Cg_endo -74.96 -22.66 14.67 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.5 1.789 . . . . 0.0 110.977 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 63' ' ' SER . 1.4 t80 -83.8 129.33 34.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.984 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.559 ' CD1' ' N ' ' A' ' 92' ' ' LEU . 1.3 mp -105.48 109.49 21.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -68.03 69.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -147.1 152.64 43.83 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 0.0 109.975 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -10.58 21.32 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.521 1.801 . . . . 0.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.484 ' O ' ' CE2' ' A' ' 98' ' ' PHE . 0.7 OUTLIER -75.34 -50.36 16.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.02 115.82 4.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.484 ' CE2' ' O ' ' A' ' 96' ' ' ASP . 16.9 m-85 -104.08 139.89 38.53 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.513 1.133 . . . . 0.0 110.951 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.556 ' CE1' ' HB3' ' A' ' 79' ' ' SER . 36.7 m-85 -139.35 150.01 44.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.569 ' CE1' ' HB2' ' A' ' 73' ' ' GLN . 37.5 p90 -141.38 153.4 45.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.506 ' CZ ' ' O ' ' A' ' 15' ' ' MET . 32.1 m-85 -75.63 143.7 75.85 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 73.38 4.35 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.486 1.782 . . . . 0.0 111.031 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 163.76 -37.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.28 -37.22 11.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.972 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.442 ' HA3' ' CD1' ' A' ' 100' ' ' TYR . . . -63.01 -170.43 1.3 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 145.27 31.18 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.499 1.789 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 51.5 p -78.56 160.14 27.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.98 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.53 149.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.998 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.532 1.145 . . . . 0.0 110.956 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.6 t -118.87 -63.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 109.978 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 m 62.21 127.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 42.99 -165.58 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 7' ' ' GLY . 15.5 m 64.81 46.08 3.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 0.771 . . . . 0.0 110.023 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.69 88.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.0 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 5' ' ' SER . . . 134.69 -86.28 0.26 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.51 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 5.6 mp -39.82 -62.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -34.72 -71.73 0.13 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.438 1.087 . . . . 0.0 110.999 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.02 -51.98 7.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.437 ' HG ' ' N ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -54.31 -56.24 20.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.437 ' N ' ' HG ' ' A' ' 11' ' ' LEU . 27.3 t80 -52.58 -49.63 64.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.6 mt -47.06 -37.07 8.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.54 -47.53 54.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.973 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 11.4 mtt -46.97 -28.28 1.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.55 -40.77 93.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.362 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.508 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 0.4 OUTLIER -57.95 111.89 4.11 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -0.92 10.54 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.476 1.777 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -117.71 -54.68 2.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.293 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -96.57 14.66 24.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.508 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -139.0 -154.36 6.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.519 HG13 ' CG ' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -71.42 157.14 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.34 -172.53 2.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -138.11 105.12 5.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.452 ' CD1' ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -113.75 146.59 39.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.436 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 9.9 p30 -94.88 129.93 41.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.358 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.436 ' CD1' ' C ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -127.89 145.56 50.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.95 120.65 37.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -103.62 -84.61 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.98 89.06 2.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.345 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt 41.26 32.23 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.5 120.26 32.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 63.8 t -91.58 97.59 7.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.412 ' CE1' ' HB2' ' A' ' 75' ' ' ALA . 49.1 m-85 -82.6 102.28 11.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -96.09 156.41 16.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 46.81 39.3 7.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.602 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 59.8 m -113.2 166.61 11.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.422 1.076 . . . . 0.0 108.343 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.57 HD13 ' CE1' ' A' ' 101' ' ' PHE . 0.7 OUTLIER -115.94 -152.93 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.434 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 0.9 OUTLIER -153.04 147.08 25.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.369 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -48.26 -52.82 17.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.6 t -67.43 -57.2 6.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 0.762 . . . . 0.0 110.005 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -42.48 -49.01 5.81 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.455 1.097 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 39' ' ' THR . 73.7 t -42.84 -43.4 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.742 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.542 ' CG2' ' HD2' ' A' ' 56' ' ' ARG . 10.7 mt -79.44 -43.8 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 49' ' ' SER . 38.4 t0 -41.09 -47.82 3.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.698 ' CZ3' ' CD1' ' A' ' 52' ' ' LEU . 61.9 t90 -60.44 -57.21 13.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 108.024 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.47 ' CD2' HD11 ' A' ' 52' ' ' LEU . 32.7 mt -47.86 -43.32 28.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 67.4 t -73.58 -28.77 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.357 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 45' ' ' ASP . 0.3 OUTLIER -73.18 -45.16 58.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.984 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.616 ' ND2' ' CD2' ' A' ' 46' ' ' TRP . 7.6 p30 -84.17 -21.1 31.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' LEU . 3.2 mmtp 81.21 37.5 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.698 ' CD1' ' CZ3' ' A' ' 46' ' ' TRP . 9.5 mt -71.63 -10.89 60.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.512 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 3.8 m -137.39 -171.79 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.5 mtt180 -95.14 -25.82 16.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -167.43 -175.95 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.542 ' HD2' ' CG2' ' A' ' 44' ' ' ILE . 0.7 OUTLIER -61.3 -38.4 86.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 60' ' ' LEU . 1.2 tm0? -48.41 -66.88 0.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.512 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 6.1 mt-10 -40.45 -51.23 2.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.113 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' A' ' 63' ' ' SER . . . -51.47 -39.31 44.42 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.7 OUTLIER -60.57 -48.46 81.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 0.792 . . . . 0.0 109.319 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 34.7 mtm -70.54 -45.99 64.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 65' ' ' SER . 5.0 mm -62.78 -55.07 26.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.567 ' HB3' ' CD2' ' A' ' 91' ' ' PHE . 5.7 m -37.81 -45.05 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.23 -51.75 66.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -51.68 -42.27 62.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.019 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.427 HD22 ' N ' ' A' ' 66' ' ' LEU . 1.7 mm? -62.59 -56.48 17.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.4 OUTLIER -56.33 -57.65 11.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -37.93 -68.22 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.442 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 33.1 mm-40 -40.94 -39.47 1.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 114.86 26.81 3.45 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.51 ' CE2' ' HB3' ' A' ' 8' ' ' LEU . 27.4 m-85 -87.67 -9.73 53.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 0.737 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.2 mt -141.94 117.64 10.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.509 ' CB ' ' CZ ' ' A' ' 100' ' ' TYR . 55.7 mm-40 -92.25 136.45 25.7 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -75.05 142.4 27.64 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.473 1.775 . . . . 0.0 110.996 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.412 ' HB2' ' CE1' ' A' ' 34' ' ' PHE . . . -144.4 110.32 5.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 140.61 -102.38 0.32 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.442 1.089 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -166.36 -50.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.4 mp -44.67 -72.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 80.5 p -48.31 -47.04 36.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.945 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -52.21 -44.98 65.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.49 ' O ' ' CB ' ' A' ' 84' ' ' ASP . 1.3 t-20 -58.6 -51.77 68.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.85 -51.62 68.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.32 -24.31 64.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 3.7 t0 -55.74 -63.53 1.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 169.04 47.29 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.466 1.104 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.454 ' CG2' ' N ' ' A' ' 87' ' ' ALA . 3.3 mm -67.97 -78.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.454 ' N ' ' CG2' ' A' ' 86' ' ' ILE . . . -135.93 -143.53 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -88.8 -15.28 35.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.57 103.49 46.64 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -26.84 10.49 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.49 1.784 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 63' ' ' SER . 3.9 t80 -81.14 149.21 29.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 36.4 mt -126.03 114.09 17.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.45 ' OD1' ' NH2' ' A' ' 56' ' ' ARG . 4.8 t0 -72.65 69.56 0.89 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.95 149.06 67.43 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.001 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -8.47 20.09 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.788 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.594 ' O ' ' CE2' ' A' ' 98' ' ' PHE . 59.7 m-20 -83.41 -54.63 4.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.403 ' HB2' ' CE2' ' A' ' 99' ' ' TYR . . . -46.97 131.97 11.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' A' ' 96' ' ' ASP . 78.9 m-85 -120.79 136.0 55.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.403 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 93.8 m-85 -134.14 163.81 28.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.509 ' CZ ' ' CB ' ' A' ' 73' ' ' GLN . 47.4 p90 -158.16 154.9 28.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 111.023 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.57 ' CE1' HD13 ' A' ' 38' ' ' LEU . 12.9 m-85 -76.58 140.87 68.49 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 78.05 2.98 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.507 1.793 . . . . 0.0 110.964 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.7 t70 174.91 -37.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.91 -71.53 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.971 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 40.41 -154.41 0.06 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.555 1.159 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 158.34 42.14 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.799 . . . . 0.0 110.962 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.9 t -131.02 104.18 6.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.7 m 62.71 93.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.02 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.4 t 59.18 112.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 0.769 . . . . 0.0 109.989 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.37 127.79 53.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 110.019 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.74 -148.69 26.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.4 m 62.79 48.31 4.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 0.753 . . . . 0.0 109.975 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.58 98.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.026 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.94 -83.95 0.35 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.446 1.091 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.513 ' O ' ' C ' ' A' ' 9' ' ' GLY . 6.0 mp -41.44 -66.51 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 0.801 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.513 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -28.07 -70.87 0.05 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -48.82 -51.84 27.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 0.765 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.481 HD11 ' CD1' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -54.89 -54.25 44.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.678 ' CD2' ' CE1' ' A' ' 71' ' ' TYR . 35.3 t80 -53.42 -51.89 61.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.8 mt -42.99 -38.25 2.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.35 -51.47 44.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.046 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.501 ' HG2' ' CZ3' ' A' ' 46' ' ' TRP . 11.5 mtp -46.94 -24.0 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.09 -45.15 78.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.505 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 2.0 t70 -52.87 116.11 8.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -1.99 11.95 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.534 1.807 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -118.1 -54.56 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -96.0 15.4 20.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.505 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -139.56 -155.07 6.5 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.53 HG13 ' CG ' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -68.49 163.65 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 109.311 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -95.65 -172.21 2.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -151.67 96.71 2.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -100.17 165.27 11.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -100.68 99.45 10.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.7 mt -83.99 101.63 11.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.446 ' HA ' ' HA ' ' A' ' 33' ' ' VAL . 21.3 tt0 -108.6 105.79 15.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.2 tttm -153.22 151.91 30.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.8 t0 58.65 39.68 24.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? 54.04 60.44 3.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -174.64 126.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.253 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.446 ' HA ' ' HA ' ' A' ' 28' ' ' GLU . 1.5 p -117.71 114.58 45.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -92.95 101.6 13.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -77.68 147.72 35.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 54.83 62.72 2.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.621 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 96.3 m -138.96 176.51 8.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 108.346 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.569 HD12 ' CE1' ' A' ' 101' ' ' PHE . 0.2 OUTLIER -132.99 -154.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.435 ' CG2' ' O ' ' A' ' 38' ' ' LEU . 1.8 p -158.11 135.82 10.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.421 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.42 ' HA2' ' CE1' ' A' ' 91' ' ' PHE . . . -39.85 -45.12 2.82 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.1 t -72.4 -43.44 63.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 109.996 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.51 -50.24 66.29 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 78.0 t -43.33 -46.31 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 0.789 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.488 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 21.2 mt -71.83 -41.26 69.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.583 1.177 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 49' ' ' SER . 54.8 t0 -45.01 -46.38 11.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.627 ' CD2' ' ND2' ' A' ' 50' ' ' ASN . 61.7 t90 -59.58 -57.45 12.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 107.966 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.488 ' CD1' ' HA ' ' A' ' 44' ' ' ILE . 4.1 mt -45.2 -45.09 11.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.0 t -73.41 -31.27 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -69.09 -44.55 72.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.627 ' ND2' ' CD2' ' A' ' 46' ' ' TRP . 6.0 p30 -84.28 -21.76 30.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 4.5 mmtt 82.89 35.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.59 ' CD1' ' CZ3' ' A' ' 46' ' ' TRP . 9.7 mt -69.51 -18.38 63.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.429 ' HB ' ' CB ' ' A' ' 58' ' ' GLU . 27.7 m -131.58 -172.21 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -99.52 -26.65 14.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 110.311 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -160.93 153.58 20.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -39.01 -41.34 0.76 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.274 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 60' ' ' LEU . 5.0 tm0? -48.01 -67.41 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 110.295 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.429 ' CB ' ' HB ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -39.63 -50.61 2.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.92 -41.45 67.74 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.471 1.107 . . . . 0.0 111.028 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.7 OUTLIER -54.04 -54.75 34.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 35.9 mtm -58.51 -50.58 73.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 24.5 mm -58.03 -50.48 77.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.571 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . 21.9 m -40.51 -50.11 2.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.77 -54.7 17.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.162 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.45 -45.0 25.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.01 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.481 ' CD1' HD11 ' A' ' 11' ' ' LEU . 2.1 mm? -59.7 -55.03 39.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.522 HD13 ' CE1' ' A' ' 99' ' ' TYR . 4.0 tp -56.96 -56.3 23.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.36 -62.27 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.969 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -45.94 -40.94 10.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 116.83 32.84 1.49 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.678 ' CE1' ' CD2' ' A' ' 12' ' ' TYR . 29.6 m-85 -90.9 -27.61 18.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 110.95 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.473 ' CD2' ' HB3' ' A' ' 66' ' ' LEU . 3.0 mm? -116.59 120.58 39.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.534 ' CB ' ' CE1' ' A' ' 100' ' ' TYR . 40.0 mm-40 -97.42 133.36 23.88 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 136.08 19.78 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -129.95 119.38 23.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 121.46 -86.82 0.4 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.536 1.147 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 170.28 -43.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.477 ' CD2' HD22 ' A' ' 92' ' ' LEU . 6.3 tt -40.95 -76.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 82' ' ' ALA . 73.7 m -55.87 -44.78 78.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.41 -55.3 5.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.467 ' O ' ' CB ' ' A' ' 84' ' ' ASP . 2.0 m-80 -45.17 -34.63 2.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 79' ' ' SER . . . -57.92 -68.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -42.68 -30.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.467 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 3.0 t70 -54.83 -62.27 1.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 163.9 60.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.519 1.137 . . . . 0.0 110.97 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.473 ' CG1' ' HA ' ' A' ' 82' ' ' ALA . 3.3 mm -76.17 -78.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.443 ' N ' ' CG2' ' A' ' 86' ' ' ILE . . . -135.53 -144.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.18 6.34 48.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -134.76 105.48 10.7 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.473 ' HB2' ' CD2' ' A' ' 67' ' ' LEU . 18.4 Cg_endo -74.96 -25.89 11.51 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.465 1.771 . . . . 0.0 111.0 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 63' ' ' SER . 2.5 t80 -86.23 129.66 34.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.567 ' CD1' ' N ' ' A' ' 92' ' ' LEU . 1.2 mp -105.64 113.6 27.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -72.4 63.78 0.57 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.25 148.71 60.74 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.001 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -10.1 21.04 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.506 1.792 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.583 ' O ' ' CE1' ' A' ' 98' ' ' PHE . 2.8 m-20 -77.86 -31.3 51.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.245 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.66 133.69 43.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 0.0 109.297 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.583 ' CE1' ' O ' ' A' ' 96' ' ' ASP . 5.6 m-30 -120.35 124.14 44.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.522 ' CE1' HD13 ' A' ' 67' ' ' LEU . 19.1 m-85 -126.83 145.71 50.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.534 ' CE1' ' CB ' ' A' ' 73' ' ' GLN . 22.9 p90 -139.87 147.65 40.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.569 ' CE1' HD12 ' A' ' 38' ' ' LEU . 13.9 m-85 -68.56 136.81 90.63 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 73.65 4.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 30.1 t0 179.97 -37.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.3 -70.03 0.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 41.8 -163.55 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.544 1.153 . . . . 0.0 111.003 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 138.51 23.19 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.543 1.812 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.76 -61.97 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 29.6 m -40.8 -57.25 1.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.489 1.118 . . . . 0.0 110.967 179.944 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.6 t -157.95 161.36 38.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 0.73 . . . . 0.0 109.971 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.7 153.96 23.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.02 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.38 125.99 2.73 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m 56.04 94.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 109.97 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.18 107.56 2.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.957 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.85 -66.08 0.58 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.5 1.125 . . . . 0.0 111.053 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 9' ' ' GLY . 25.7 mt -59.75 -56.78 17.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 0.772 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -36.19 -72.83 0.13 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -42.64 -48.07 5.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 109.317 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.412 ' HG ' ' N ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -57.36 -56.31 23.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.598 ' CD2' ' CD1' ' A' ' 71' ' ' TYR . 26.5 t80 -51.93 -47.81 64.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.7 mt -49.89 -40.2 42.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.5 OUTLIER -65.65 -48.58 71.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.95 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.0 mtp -46.71 -24.61 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.0 -39.69 75.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.524 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 0.4 OUTLIER -57.52 112.17 4.37 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -0.8 10.41 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.547 1.814 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -117.04 -54.89 2.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -97.94 15.86 22.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.524 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -141.43 -156.07 6.69 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.554 1.159 . . . . 0.0 111.012 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.512 HG13 ' CG ' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -69.47 167.46 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.257 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.404 ' N ' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -107.28 -169.91 1.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -141.88 129.94 22.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.316 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mt -139.15 164.72 29.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -90.52 149.23 22.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.6 mt -143.14 100.68 3.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.488 ' CG ' ' HB ' ' A' ' 33' ' ' VAL . 40.3 tt0 -108.58 128.17 54.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.423 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -154.2 142.66 20.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.25 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.423 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER 76.18 -69.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.74 54.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -171.27 124.28 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.488 ' HB ' ' CG ' ' A' ' 28' ' ' GLU . 2.2 p -105.7 108.56 25.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -87.48 102.38 14.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -76.53 147.78 37.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 55.84 72.25 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.607 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.4 t -142.33 166.66 24.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 108.333 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.52 HD12 ' CZ ' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -115.61 -151.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.469 ' CG2' ' O ' ' A' ' 38' ' ' LEU . 1.8 p -159.38 130.15 5.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.402 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 39' ' ' THR . . . -37.07 -40.79 0.58 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.2 -44.27 26.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 39' ' ' THR . . . -60.8 -42.41 99.5 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 77.4 t -48.46 -45.37 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.462 0.743 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.519 ' CG2' ' HD2' ' A' ' 56' ' ' ARG . 9.2 mt -74.38 -41.03 50.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 49' ' ' SER . 19.2 t0 -42.72 -48.07 5.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.684 ' CZ3' ' CD1' ' A' ' 52' ' ' LEU . 62.0 t90 -60.2 -58.36 8.83 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.465 ' CD2' HD12 ' A' ' 52' ' ' LEU . 4.0 mt -45.64 -48.62 14.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 8.2 t -68.3 -34.27 65.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 45' ' ' ASP . 0.4 OUTLIER -66.76 -47.46 72.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.541 1.15 . . . . 0.0 110.038 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.613 ' ND2' ' CD2' ' A' ' 46' ' ' TRP . 7.2 p30 -81.8 -17.01 49.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 47' ' ' LEU . 2.9 mmtp 76.87 35.31 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.684 ' CD1' ' CZ3' ' A' ' 46' ' ' TRP . 6.7 mt -64.45 -21.25 66.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.505 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 4.7 m -129.12 -173.57 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -89.72 -27.6 19.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.476 ' OD1' ' CB ' ' A' ' 57' ' ' GLN . 0.9 OUTLIER -163.11 -178.35 5.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.519 ' HD2' ' CG2' ' A' ' 44' ' ' ILE . 1.2 mmm-85 -61.45 -38.71 88.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.476 ' CB ' ' OD1' ' A' ' 55' ' ' ASN . 2.5 tm0? -47.75 -65.18 0.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 110.274 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.505 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 3.9 mt-10 -41.0 -49.93 3.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.84 -38.02 58.86 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.4 OUTLIER -59.46 -52.14 66.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 0.731 . . . . 0.0 109.288 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 18.9 mtm -66.73 -48.45 69.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 65' ' ' SER . 4.1 mm -59.96 -53.02 54.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.545 ' HB3' ' CD1' ' A' ' 91' ' ' PHE . 14.3 m -38.95 -42.85 0.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.019 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.07 -50.9 71.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -52.25 -37.49 55.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.482 ' HB3' ' CD2' ' A' ' 72' ' ' LEU . 44.2 mt -67.92 -55.91 11.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.453 ' CD1' ' HB2' ' A' ' 90' ' ' PRO . 0.4 OUTLIER -56.72 -60.32 3.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -37.74 -64.78 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.008 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -40.98 -40.22 1.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 114.05 25.17 4.26 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.544 1.152 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.598 ' CD1' ' CD2' ' A' ' 12' ' ' TYR . 30.5 m-85 -82.83 -23.3 33.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.482 ' CD2' ' HB3' ' A' ' 66' ' ' LEU . 2.6 mm? -119.01 124.82 47.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.506 ' HB2' ' CZ ' ' A' ' 100' ' ' TYR . 26.8 mm-40 -96.54 124.24 51.51 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 110.239 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 132.76 15.74 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.553 1.818 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -133.3 123.87 26.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 128.12 -111.63 1.32 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -154.69 -52.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 0.787 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.47 -71.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.79 -41.31 1.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.012 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -56.12 -62.08 1.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -43.34 -49.06 6.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.54 -53.69 10.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.335 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.31 58.02 2.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -143.01 -60.66 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -178.7 36.03 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.521 1.138 . . . . 0.0 110.954 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.4 mm -69.63 -73.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 0.75 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -147.17 -145.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 109.329 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.01 7.59 41.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.61 104.66 17.38 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.453 ' HB2' ' CD1' ' A' ' 67' ' ' LEU . 18.3 Cg_endo -74.96 -25.69 11.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 111.006 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.545 ' CD1' ' HB3' ' A' ' 63' ' ' SER . 1.9 t80 -92.51 140.25 29.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 94' ' ' SER . 43.7 mt -118.65 115.0 23.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 6.4 t0 -70.19 67.06 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -141.16 149.04 54.03 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.027 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -3.51 14.03 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.469 1.773 . . . . 0.0 111.027 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.423 ' O ' ' CE1' ' A' ' 98' ' ' PHE . 0.4 OUTLIER -82.65 -41.32 19.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.61 119.67 12.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.423 ' CE1' ' O ' ' A' ' 96' ' ' ASP . 10.3 m-85 -106.44 138.34 42.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -140.3 145.47 37.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.506 ' CZ ' ' HB2' ' A' ' 73' ' ' GLN . 41.5 p90 -139.55 143.02 37.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.52 ' CZ ' HD12 ' A' ' 38' ' ' LEU . 16.4 m-85 -61.44 134.13 93.4 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 111.049 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 72.94 4.47 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.0 t70 174.58 -36.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.78 -70.63 0.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 39.05 -159.62 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 158.88 41.67 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.443 1.759 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.28 122.52 3.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.039 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.5 t -54.06 -42.41 69.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 179.98 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t 64.3 117.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 0.0 110.02 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -119.24 -57.08 2.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.962 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.83 143.55 6.99 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.493 1.121 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.22 -62.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 0.8 . . . . 0.0 110.033 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.8 t -162.87 60.59 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.05 74.23 0.37 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.3 mt -125.31 -51.82 1.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 0.786 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -45.36 -68.55 0.95 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.93 -51.01 10.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 0.0 109.296 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.517 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -54.94 -56.57 18.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -51.75 -39.37 58.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.978 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.9 mt -58.27 -47.44 83.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.25 -48.47 81.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.029 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 11.5 mtt -45.32 -37.8 5.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.979 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.82 -46.73 71.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.522 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.8 t0 -52.51 110.89 2.15 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -0.46 9.97 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.44 1.758 . . . . 0.0 111.043 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -117.26 -55.44 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 110.282 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -94.79 10.37 35.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.522 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -135.95 -154.19 6.83 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.476 HG13 ' CG ' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -68.75 162.91 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.55 0.794 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.407 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -87.82 -176.1 5.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -150.0 89.86 1.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.407 ' CD2' ' HB3' ' A' ' 23' ' ' LYS . 2.5 mm? -105.28 165.61 10.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -111.28 110.17 20.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 mt -100.7 156.48 17.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -118.41 144.35 46.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 tptp -140.04 106.34 5.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.1 t0 72.32 -61.14 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -154.94 -54.29 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.534 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 1.8 ptmt -46.46 144.85 1.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.8 t -118.46 103.43 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.534 ' CE1' ' HG3' ' A' ' 32' ' ' LYS . 18.7 m-85 -77.31 101.32 6.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -86.15 146.97 26.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 46.52 77.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.554 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 85.6 m -145.53 175.12 10.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 108.275 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.57 HD13 ' CZ ' ' A' ' 101' ' ' PHE . 0.2 OUTLIER -130.03 -157.18 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.482 ' CG2' ' O ' ' A' ' 38' ' ' LEU . 2.0 p -159.77 139.72 11.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.385 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.426 ' HA2' ' CE2' ' A' ' 91' ' ' PHE . . . -37.9 -43.9 1.35 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.0 t -68.99 -44.99 71.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 110.026 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 39' ' ' THR . . . -65.59 -44.55 92.55 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.549 1.156 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.2 t -47.18 -48.43 8.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.493 0.76 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.534 ' CG2' ' HD2' ' A' ' 56' ' ' ARG . 11.3 mt -74.48 -44.25 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -40.87 -46.71 2.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.643 ' CZ3' ' CD1' ' A' ' 52' ' ' LEU . 60.0 t90 -60.73 -56.77 17.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 107.967 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.468 ' CD2' HD12 ' A' ' 52' ' ' LEU . 49.5 mt -46.08 -46.35 16.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.254 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 24.9 t -71.0 -32.26 47.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 46' ' ' TRP . 0.2 OUTLIER -68.5 -46.54 69.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.975 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.622 ' ND2' ' CD2' ' A' ' 46' ' ' TRP . 6.9 p30 -83.0 -20.04 35.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 47' ' ' LEU . 3.9 mmtp 80.01 36.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.643 ' CD1' ' CZ3' ' A' ' 46' ' ' TRP . 8.2 mt -69.23 -10.73 59.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.531 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 2.4 m -139.65 -171.43 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.1 mtt180 -95.96 -26.08 15.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.339 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -161.85 -177.93 6.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.534 ' HD2' ' CG2' ' A' ' 44' ' ' ILE . 0.6 OUTLIER -61.7 -39.37 91.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.416 ' O ' ' HB3' ' A' ' 60' ' ' LEU . 4.0 tm0? -49.33 -70.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.531 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 2.9 mt-10 -38.14 -48.84 1.29 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 110.239 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.25 -47.87 60.61 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.416 ' HB3' ' O ' ' A' ' 57' ' ' GLN . 2.8 tp -50.54 -65.55 0.54 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 23.2 mtm -47.13 -52.2 16.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 65' ' ' SER . 10.0 mm -56.31 -57.95 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.559 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 4.4 m -36.59 -49.16 0.74 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.996 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -50.6 -52.05 42.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -51.05 -43.09 60.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.952 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.502 ' HB3' ' CD2' ' A' ' 72' ' ' LEU . 2.6 mm? -61.89 -55.89 24.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.556 HD12 ' CE1' ' A' ' 99' ' ' TYR . 2.7 tp -56.14 -56.67 18.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -37.92 -67.67 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.003 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -41.03 -39.95 1.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 114.86 26.61 3.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.577 1.173 . . . . 0.0 110.952 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -81.96 -25.47 34.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 0.74 . . . . 0.0 111.006 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.502 ' CD2' ' HB3' ' A' ' 66' ' ' LEU . 2.4 mm? -118.43 127.39 53.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -100.36 128.28 30.81 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 138.35 22.88 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.483 1.781 . . . . 0.0 111.031 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -137.69 122.46 18.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 134.49 -91.76 0.24 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 178.11 -37.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 0.774 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.471 ' CD2' HD22 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -61.19 -79.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.403 ' O ' ' CB ' ' A' ' 82' ' ' ALA . 15.2 p -39.84 -37.03 0.5 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 110.001 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -56.88 -53.49 57.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 78' ' ' LEU . 16.0 m-80 -54.08 -25.54 22.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.236 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.468 ' CB ' HD12 ' A' ' 92' ' ' LEU . . . -64.06 -68.46 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -50.59 -24.67 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -55.51 -62.67 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 162.29 53.97 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.46 1.1 . . . . 0.0 110.955 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.459 ' CG2' ' N ' ' A' ' 87' ' ' ALA . 3.5 mm -73.52 -78.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.459 ' N ' ' CG2' ' A' ' 86' ' ' ILE . . . -131.94 -143.84 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -91.58 -17.49 25.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 110.278 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -111.03 105.5 57.14 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.405 ' HB2' ' CD2' ' A' ' 67' ' ' LEU . 18.3 Cg_endo -74.96 -22.56 14.77 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.493 1.786 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 1.9 t80 -86.25 131.43 34.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.592 ' CD1' ' N ' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -104.89 107.43 18.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.331 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -68.78 67.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -144.42 151.91 52.16 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -2.2 12.22 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.528 1.804 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.56 ' O ' ' CE2' ' A' ' 98' ' ' PHE . 0.3 OUTLIER -83.53 -52.49 6.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.9 119.33 7.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.56 ' CE2' ' O ' ' A' ' 96' ' ' ASP . 8.9 m-85 -105.67 132.09 52.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.951 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.556 ' CE1' HD12 ' A' ' 67' ' ' LEU . 26.8 m-85 -131.54 146.5 52.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.433 ' CD2' ' HA3' ' A' ' 105' ' ' GLY . 35.2 p90 -145.96 147.44 31.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.57 ' CZ ' HD13 ' A' ' 38' ' ' LEU . 8.5 m-85 -64.74 139.35 97.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 64.59 6.03 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.534 1.807 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -167.61 -43.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 105' ' ' GLY . 0.5 OUTLIER -97.48 -66.37 0.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.433 ' HA3' ' CD2' ' A' ' 100' ' ' TYR . . . 37.07 -150.87 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 61.18 5.64 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.48 1.779 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 108' ' ' SER . 0.6 OUTLIER 69.41 -68.83 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.006 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 107' ' ' SER . 1.7 t 79.38 -54.09 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.981 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.97 128.33 54.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 0.79 . . . . 0.0 110.012 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.35 170.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -38.02 -86.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 m 41.13 48.64 3.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 0.772 . . . . 0.0 109.969 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.47 94.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 132.52 -85.61 0.29 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.488 1.117 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.446 ' CD2' ' HG3' ' A' ' 69' ' ' GLU . 5.8 mp -39.68 -65.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -33.49 -72.05 0.1 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -42.94 -54.76 4.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 0.785 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.471 ' CD2' HD11 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -52.98 -58.12 8.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.49 ' CG ' ' CD1' ' A' ' 71' ' ' TYR . 34.9 t80 -50.29 -47.85 55.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.1 mt -49.42 -38.89 30.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.6 OUTLIER -66.57 -52.65 43.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.992 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 101' ' ' PHE . 19.6 mtt -42.85 -33.12 0.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -61.1 -43.38 98.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 14' ' ' SER . 0.7 OUTLIER -55.3 118.13 17.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -2.7 12.89 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.48 1.779 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -121.7 -52.6 2.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -94.34 18.11 11.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.428 ' N ' ' HB3' ' A' ' 17' ' ' ASP . . . -138.28 -152.64 6.05 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.537 1.148 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.52 HG13 ' CG ' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -77.6 159.25 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 0.742 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.2 -174.97 4.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -153.14 101.65 2.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.332 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.94 170.03 8.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -109.01 111.22 22.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.421 HD13 ' CD1' ' A' ' 98' ' ' PHE . 6.2 mt -107.41 123.57 48.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -88.63 126.56 35.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 110.298 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.96 138.58 14.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 t0 62.05 34.33 16.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.3 mttt 58.59 53.71 5.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.23 127.63 7.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.2 t -87.08 85.83 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.339 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -71.38 102.13 2.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -86.62 164.56 16.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.459 ' HB2' ' CA ' ' A' ' 105' ' ' GLY . 25.7 m-70 42.43 53.95 4.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.553 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -116.32 166.15 12.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.167 . . . . 0.0 108.317 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.486 HD13 ' CZ ' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -127.96 -155.51 0.7 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.504 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 2.5 p -159.12 135.93 9.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.416 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.64 -26.34 52.84 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.539 1.15 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.44 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 31.3 t -83.92 -41.44 17.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 0.762 . . . . 0.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.47 -43.91 43.35 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.109 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 39' ' ' THR . 17.4 m -51.23 -55.35 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.762 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.471 ' CG2' ' HD2' ' A' ' 56' ' ' ARG . 78.5 mt -54.89 -37.81 42.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -60.33 -39.79 88.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.52 ' CG ' HG13 ' A' ' 22' ' ' ILE . 79.4 t90 -68.03 -38.35 82.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 107.973 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 51.6 mt -55.98 -37.68 69.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 43.3 t -85.64 -40.65 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.361 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.64 -47.48 40.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.986 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.46 ' ND2' ' CE2' ' A' ' 46' ' ' TRP . 13.4 m-80 -81.32 -22.55 38.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 10.2 mmtt 84.43 65.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.365 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.9 mt -103.66 -25.96 12.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.444 ' HB ' ' CB ' ' A' ' 58' ' ' GLU . 16.5 m -128.0 179.76 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -84.97 -30.33 24.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -160.92 161.37 31.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.471 ' HD2' ' CG2' ' A' ' 44' ' ' ILE . 0.2 OUTLIER -42.75 -47.61 5.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.309 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.76 -63.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.445 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -45.4 -48.61 13.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.365 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.33 -41.22 54.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.109 . . . . 0.0 110.978 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -55.03 -57.07 13.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.771 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 32.6 mtm -56.03 -48.74 75.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 65' ' ' SER . 25.8 mm -60.35 -50.99 78.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.566 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 64.9 m -40.02 -52.24 2.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.99 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.22 -48.84 12.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -52.11 -41.38 62.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.027 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.471 HD11 ' CD2' ' A' ' 11' ' ' LEU . 1.2 mm? -64.53 -57.08 10.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.3 OUTLIER -55.42 -61.07 2.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 67' ' ' LEU . 1.7 t -38.0 -62.88 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.049 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.446 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 21.6 mm-40 -44.01 -40.34 4.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.301 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 114.64 31.68 2.09 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.49 ' CD1' ' CG ' ' A' ' 12' ' ' TYR . 33.6 m-85 -90.24 -17.51 27.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.751 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -126.22 124.92 41.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.45 ' CB ' ' CZ ' ' A' ' 100' ' ' TYR . 34.9 mm-40 -94.03 126.07 50.38 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 120.37 6.02 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.547 1.814 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.434 ' HB2' ' CD1' ' A' ' 100' ' ' TYR . . . -112.5 143.49 43.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 98.82 -124.9 8.37 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -139.34 -48.13 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 0.73 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 81' ' ' ASN . 0.6 OUTLIER -49.01 -75.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.8 m -41.91 -39.45 1.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.978 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -59.3 -47.62 84.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 78' ' ' LEU . 51.3 m-20 -60.42 -36.28 77.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.421 ' HB3' ' CD1' ' A' ' 92' ' ' LEU . . . -53.71 -59.24 4.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.25 43.91 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -111.29 -65.15 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -158.88 25.41 0.36 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.131 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.493 ' O ' ' CB ' ' A' ' 87' ' ' ALA . 5.8 mm -63.53 -66.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.502 0.766 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 86' ' ' ILE . . . 83.79 160.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 89' ' ' ASN . 2.4 tt0 74.43 -10.38 1.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 88' ' ' GLU . 0.8 OUTLIER 157.5 107.17 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -29.68 7.89 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.491 1.785 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 1.3 t80 -76.62 149.42 36.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 94' ' ' SER . 56.9 mt -126.53 107.16 9.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -68.04 69.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -139.55 147.84 53.79 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -5.23 16.53 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.792 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.47 ' O ' ' CE2' ' A' ' 98' ' ' PHE . 0.7 OUTLIER -84.32 -50.61 7.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.34 117.35 5.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.47 ' CE2' ' O ' ' A' ' 96' ' ' ASP . 31.6 m-85 -105.5 129.0 53.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -126.83 134.57 50.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.45 ' CZ ' ' CB ' ' A' ' 73' ' ' GLN . 36.8 p90 -127.29 141.09 51.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.486 ' CZ ' HD13 ' A' ' 38' ' ' LEU . 18.1 m-85 -58.43 146.26 72.88 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 62.43 5.88 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 111.011 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -176.96 -39.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.578 1.174 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.5 t -101.66 -171.72 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.941 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.459 ' CA ' ' HB2' ' A' ' 36' ' ' HIS . . . 123.43 -147.81 16.7 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.54 1.15 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -43.97 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.498 1.788 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.68 102.75 12.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.024 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.95 163.05 22.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.998 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.0 p -168.71 89.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 109.999 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.7 p -148.41 155.01 40.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.61 71.52 0.24 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.1 p -172.76 44.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 109.997 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.96 95.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 126.69 -85.84 0.34 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.467 1.105 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.517 ' O ' ' C ' ' A' ' 9' ' ' GLY . 5.9 mp -39.66 -67.95 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.517 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -28.21 -68.91 0.07 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.14 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.81 -60.25 3.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.539 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -47.56 -55.6 8.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.551 ' CD2' ' CD1' ' A' ' 71' ' ' TYR . 40.9 t80 -51.64 -52.83 44.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.6 mt -42.87 -38.0 2.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.4 ' C ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -68.68 -53.62 21.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.6 mtt -43.84 -25.84 0.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.4 ' N ' ' C ' ' A' ' 14' ' ' SER . 2.1 mtmp? -66.36 -48.33 70.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.517 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 2.7 t70 -48.64 115.26 4.23 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.85 10.47 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.772 . . . . 0.0 110.973 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -118.23 -54.68 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.345 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -97.0 14.48 25.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.517 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -139.02 -156.74 7.09 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.436 1.085 . . . . 0.0 111.047 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.517 HG13 ' CG ' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -74.34 150.47 7.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.523 0.778 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.428 ' HD3' ' N ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -88.7 -174.09 4.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -141.2 85.06 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.328 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.75 150.83 24.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -85.61 132.6 34.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mt -127.05 119.49 26.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -99.2 133.61 43.24 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.51 1.131 . . . . 0.0 110.266 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.7 tptt -125.76 79.59 1.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.7 t0 51.21 92.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.35 -61.37 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -52.69 106.55 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.328 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 52.3 t -99.05 83.4 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -72.96 102.01 3.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.69 150.18 20.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 11.6 m170 65.74 57.05 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.603 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 95.6 m -133.41 159.19 41.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 108.324 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.576 HD11 ' CZ ' ' A' ' 101' ' ' PHE . 5.5 mt -116.57 -150.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 38' ' ' LEU . 1.7 p -160.52 127.89 4.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.387 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -48.23 -26.04 4.52 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.528 1.142 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.457 ' O ' ' NH2' ' A' ' 56' ' ' ARG . 2.3 t -84.42 -43.68 14.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 0.789 . . . . 0.0 110.043 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.68 -43.26 60.45 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.479 ' CG2' ' N ' ' A' ' 44' ' ' ILE . 16.2 m -51.46 -54.99 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 0.0 109.347 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.479 ' N ' ' CG2' ' A' ' 43' ' ' VAL . 74.6 mt -55.17 -49.44 72.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -46.0 -40.46 10.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.517 ' CG ' HG13 ' A' ' 22' ' ' ILE . 82.4 t90 -67.32 -42.39 83.69 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 44' ' ' ILE . 72.2 mt -53.1 -49.41 66.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 51' ' ' LYS . 46.9 t -70.33 -48.67 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.09 -50.51 4.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.474 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 13.4 m-80 -78.29 -25.46 46.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 7.5 mmtt 86.22 49.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.421 ' CD1' HD23 ' A' ' 11' ' ' LEU . 11.1 mt -80.86 -28.62 35.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.485 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 2.5 m -125.22 -172.53 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.7 mtt180 -97.46 -24.36 15.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.247 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -154.33 175.35 13.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.457 ' NH2' ' O ' ' A' ' 41' ' ' SER . 10.6 ttt-85 -64.05 -40.58 96.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 60' ' ' LEU . 5.7 tm0? -49.15 -65.08 0.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.485 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 2.2 mt-10 -40.6 -47.8 2.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -56.35 -40.03 84.35 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.539 1.149 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.6 OUTLIER -58.22 -47.53 83.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 0.763 . . . . 0.0 109.277 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 26.4 mtm -67.28 -51.85 47.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.1 mm -54.21 -49.33 63.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.571 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 3.4 m -43.52 -50.34 7.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.0 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -50.14 -45.29 52.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.27 -37.98 62.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.525 HD22 ' CD1' ' A' ' 11' ' ' LEU . 19.9 mt -68.64 -57.72 5.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.578 HD13 ' CE1' ' A' ' 99' ' ' TYR . 11.8 tp -50.13 -55.54 14.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.64 -65.11 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.036 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -45.26 -33.39 2.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 107.52 30.84 3.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.551 ' CD1' ' CD2' ' A' ' 12' ' ' TYR . 21.7 m-85 -85.94 -22.94 27.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.782 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 66' ' ' LEU . 2.9 mm? -119.19 120.42 37.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.424 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . 17.4 mm-40 -97.89 130.64 28.37 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -75.01 126.97 10.3 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.485 1.782 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -118.69 102.05 8.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 133.95 -122.54 3.04 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.461 1.1 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.76 -50.32 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 0.783 . . . . 0.0 109.356 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.8 tt -47.39 -71.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.5 p -49.09 -24.45 1.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.992 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -51.02 18.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -57.36 -42.03 81.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.468 ' HB3' ' CD1' ' A' ' 92' ' ' LEU . . . -52.61 -59.01 4.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -89.21 43.33 1.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.108 . . . . 0.0 109.295 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -111.72 -65.06 1.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.422 1.076 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -160.3 25.66 0.3 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.496 ' O ' ' CB ' ' A' ' 87' ' ' ALA . 4.9 mm -65.09 -67.07 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 0.776 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 86' ' ' ILE . . . 84.0 164.33 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER 73.14 -7.0 1.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.256 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.538 ' CB ' ' O ' ' A' ' 88' ' ' GLU . 1.0 OUTLIER 153.65 102.15 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.336 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -29.55 8.12 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.508 1.793 . . . . 0.0 111.042 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.571 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 1.5 t80 -79.52 139.37 37.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 82' ' ' ALA . 79.7 mt -117.66 109.7 16.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.44 ' OD1' ' NH1' ' A' ' 56' ' ' ARG . 22.7 t0 -68.38 72.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.55 147.98 35.25 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.985 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -4.71 15.81 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.467 1.772 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.437 ' O ' ' CZ ' ' A' ' 98' ' ' PHE . 0.2 OUTLIER -82.71 -48.26 11.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.278 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.84 112.06 3.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.437 ' CZ ' ' O ' ' A' ' 96' ' ' ASP . 9.5 m-85 -100.77 139.13 36.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.578 ' CE1' HD13 ' A' ' 67' ' ' LEU . 17.3 m-85 -139.59 140.19 36.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 111.05 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.424 ' CE1' ' HB2' ' A' ' 73' ' ' GLN . 33.5 p90 -131.56 146.71 52.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 111.058 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.576 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 12.9 m-85 -65.51 138.16 96.76 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 72.51 4.61 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.511 1.795 . . . . 0.0 110.945 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -177.04 -41.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.41 -80.12 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.021 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 44.28 -169.16 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.469 1.105 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 168.83 23.97 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.455 1.766 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 22.9 t -141.28 148.71 40.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 37.8 p -163.12 130.67 3.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.973 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.437 1.086 . . . . 0.0 111.073 179.982 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 p 60.12 79.0 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 0.747 . . . . 0.0 110.01 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.54 142.76 29.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.01 -154.13 0.05 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.36 40.62 17.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 110.022 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.68 98.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.021 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.21 -81.46 0.24 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 12' ' ' TYR . 5.0 mp -42.78 -47.95 5.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.784 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.497 ' O ' ' CD1' ' A' ' 13' ' ' LEU . . . -36.98 -79.1 0.04 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.429 1.081 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.49 -43.69 8.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 0.785 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.584 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -57.07 -50.61 72.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.489 ' N ' ' O ' ' A' ' 8' ' ' LEU . 18.3 t80 -58.66 -48.42 81.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.966 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 9' ' ' GLY . 7.8 mp -46.45 -37.8 8.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.4 OUTLIER -69.97 -52.52 23.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.972 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.451 ' SD ' ' CD2' ' A' ' 11' ' ' LEU . 8.4 mtt -46.29 -24.91 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.08 -40.64 78.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.491 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.1 t0 -58.06 112.74 5.23 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -0.72 10.32 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.524 1.802 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -119.03 -52.68 2.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -98.86 17.19 20.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -138.64 -154.22 6.39 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.543 1.152 . . . . 0.0 110.963 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.543 HG13 ' CG ' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -70.59 151.56 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.761 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.55 161.08 15.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -124.48 105.36 9.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -109.52 166.54 10.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.492 ' O ' ' CD1' ' A' ' 27' ' ' LEU . 1.9 p30 -102.93 131.12 50.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.174 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.521 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -136.13 139.68 43.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -117.77 99.71 7.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -53.43 -61.1 2.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.173 . . . . 0.0 109.313 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -133.88 -72.81 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -129.1 7.5 5.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.91 114.81 29.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.1 t -85.37 95.35 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -77.16 101.54 6.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -102.06 157.22 17.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 52.65 42.24 31.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.601 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 73.4 m -121.01 -176.73 3.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 108.291 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.494 ' O ' ' CG2' ' A' ' 39' ' ' THR . 0.7 OUTLIER -127.22 -148.92 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.494 ' CG2' ' O ' ' A' ' 38' ' ' LEU . 2.2 p -159.9 129.19 5.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.4 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 39' ' ' THR . . . -37.29 -55.7 1.54 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.54 1.15 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 t -64.96 -49.71 69.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 45' ' ' ASP . . . -52.25 -51.98 38.88 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.555 1.159 . . . . 0.0 111.044 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 65.6 t -45.44 -50.26 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.57 0.806 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.532 ' CG2' ' HD2' ' A' ' 56' ' ' ARG . 25.2 mt -69.4 -28.68 39.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 42' ' ' GLY . 7.0 t0 -62.07 -42.83 99.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.543 ' CG ' HG13 ' A' ' 22' ' ' ILE . 81.6 t90 -64.1 -34.27 77.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 108.055 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 44' ' ' ILE . 23.4 mt -65.67 -53.8 36.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 80.2 t -66.77 -37.93 80.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.69 -47.98 69.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.436 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 12.9 m-80 -82.12 -18.83 41.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.436 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 3.6 mmtt 83.52 42.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.472 ' CD1' HD23 ' A' ' 47' ' ' LEU . 9.6 mt -71.57 -25.48 62.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 2.6 m -130.66 -172.48 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.2 mtt85 -97.89 -27.08 14.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.344 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.409 ' N ' ' ND2' ' A' ' 55' ' ' ASN . 0.5 OUTLIER -152.49 172.05 17.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.532 ' HD2' ' CG2' ' A' ' 44' ' ' ILE . 0.3 OUTLIER -59.81 -42.41 93.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 58' ' ' GLU . 5.7 tm0? -47.39 -66.41 0.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.492 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 2.2 mt-10 -38.26 -49.13 1.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.269 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -57.51 -47.21 89.89 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.5 OUTLIER -44.56 -50.63 9.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.0 109.29 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 26.5 mtm -64.01 -57.14 10.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 63' ' ' SER . 28.3 mm -50.8 -54.87 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.545 ' HB3' ' CD2' ' A' ' 91' ' ' PHE . 18.8 m -37.47 -50.49 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.26 -54.87 9.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.428 ' CB ' HD22 ' A' ' 8' ' ' LEU . 1.3 t -45.72 -44.94 14.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.01 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.437 ' CD2' ' N ' ' A' ' 66' ' ' LEU . 1.5 mm? -63.34 -55.79 21.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.7 OUTLIER -55.02 -61.78 2.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -37.9 -66.21 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.02 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -38.69 -38.83 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 114.4 0.16 23.55 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.402 ' CE2' ' HB3' ' A' ' 8' ' ' LEU . 32.9 m-85 -57.42 -15.88 7.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 0.0 110.977 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.3 mt -132.26 126.07 32.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.509 ' CB ' ' CZ ' ' A' ' 100' ' ' TYR . 19.2 mm-40 -94.89 130.74 32.05 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 138.61 23.16 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.492 1.785 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.41 ' HB3' ' CD1' ' A' ' 100' ' ' TYR . . . -137.83 107.6 6.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.93 -108.29 0.51 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -159.18 -52.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 0.777 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.88 -79.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 95.4 p -43.02 -54.57 4.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -45.15 -68.84 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -43.29 -34.58 1.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.442 ' CB ' HD13 ' A' ' 92' ' ' LEU . . . -69.46 -57.25 5.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -50.94 -25.88 5.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.347 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.49 -63.0 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 165.22 59.66 0.02 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.408 ' CG1' ' HA ' ' A' ' 82' ' ' ALA . 3.7 mm -77.66 -64.14 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.774 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -152.84 -140.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.29 12.5 36.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -134.15 91.94 22.54 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.441 ' O ' ' CD1' ' A' ' 92' ' ' LEU . 18.3 Cg_endo -74.95 -25.99 11.45 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.537 1.809 . . . . 0.0 111.027 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.545 ' CD2' ' HB3' ' A' ' 63' ' ' SER . 2.8 t80 -85.45 127.94 34.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.559 ' CD1' ' N ' ' A' ' 92' ' ' LEU . 1.2 mp -103.12 110.02 21.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -70.21 65.48 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.45 149.46 65.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -11.92 21.56 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.587 ' O ' ' CE2' ' A' ' 98' ' ' PHE . 0.8 OUTLIER -73.87 -58.25 3.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -46.13 158.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.587 ' CE2' ' O ' ' A' ' 96' ' ' ASP . 53.8 m-85 -146.74 135.14 21.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 38' ' ' LEU . 88.3 m-85 -133.53 153.73 51.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.974 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.509 ' CZ ' ' CB ' ' A' ' 73' ' ' GLN . 39.0 p90 -144.53 142.52 30.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.424 ' CZ ' HD13 ' A' ' 38' ' ' LEU . 34.7 m-85 -63.24 149.88 90.3 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 72.82 4.52 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 0.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.9 t0 174.73 -39.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.6 m -116.52 156.93 26.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.998 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 153.31 -161.87 29.93 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 111.037 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 86.46 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.493 1.786 . . . . 0.0 111.012 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.0 m -61.76 119.84 9.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.58 1.175 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.95 -52.65 2.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.517 1.136 . . . . 0.0 110.973 -179.984 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 9' ' ' GLY . 4.8 mp . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -35.53 -71.87 0.15 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.27 -52.58 7.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 0.782 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.983 HD21 HD11 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -53.11 -56.13 18.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.578 ' CD2' ' CD1' ' A' ' 71' ' ' TYR . 22.4 t80 -52.97 -53.7 45.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 48.8 mt -43.79 -35.77 2.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.5 OUTLIER -72.31 -51.55 20.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.002 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 8.1 mtt -44.18 -29.59 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.96 -44.5 95.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.485 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.5 t0 -55.0 114.6 7.3 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -2.05 12.03 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.478 1.778 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -118.1 -54.46 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -94.43 13.36 24.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.485 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -137.81 -155.09 6.75 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.442 1.089 . . . . 0.0 111.037 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.754 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -70.63 156.41 7.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 0.75 . . . . 0.0 109.267 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.409 ' O ' HG23 ' A' ' 22' ' ' ILE . 1.2 mttm -88.76 -175.34 4.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -149.44 106.34 3.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 110.326 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.81 171.73 7.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -110.43 102.73 11.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.281 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.2 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 79.4 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -126.98 101.43 6.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -87.44 156.86 19.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 49.37 53.09 13.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.615 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.514 ' C ' HD23 ' A' ' 38' ' ' LEU . 10.8 m -125.98 163.44 22.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 108.337 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.514 HD23 ' C ' ' A' ' 37' ' ' CYS . 1.7 mt -119.1 -150.87 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.51 ' O ' HG23 ' A' ' 43' ' ' VAL . 2.3 p -152.78 135.29 15.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.375 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -43.95 -52.32 6.84 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.546 1.153 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -73.65 -46.16 48.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 110.05 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 45' ' ' ASP . . . -52.14 -47.94 53.98 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.754 ' HA ' HD11 ' A' ' 22' ' ' ILE . 41.6 t -48.16 -39.68 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.903 ' HA ' HD12 ' A' ' 47' ' ' LEU . 10.5 mt -78.7 -29.23 14.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 42' ' ' GLY . 7.9 t0 -59.95 -41.39 91.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.52 ' CG ' HG13 ' A' ' 22' ' ' ILE . 84.0 t90 -66.87 -34.31 77.52 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.97 HD23 HD12 ' A' ' 52' ' ' LEU . 21.2 mt -65.09 -55.54 18.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 72.1 t -66.57 -41.49 88.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.4 m -48.81 -49.75 37.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.944 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.422 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 7.4 m-80 -82.35 -18.86 40.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 4.3 mmtt 82.51 55.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.97 HD12 HD23 ' A' ' 47' ' ' LEU . 12.2 mt -84.98 -20.44 30.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 2.6 m -134.54 -173.41 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -93.2 -29.16 15.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -153.43 173.24 15.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.093 . . . . 0.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.714 ' HD2' HG21 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -60.34 -40.64 91.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.282 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -48.01 -65.05 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.466 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 1.7 mt-10 -38.58 -48.4 1.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.35 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.56 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -57.95 -43.71 94.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.6 OUTLIER -48.72 -45.97 40.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 0.721 . . . . 0.0 109.265 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 43.3 mtm -67.41 -54.75 17.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 23.9 mm -54.23 -52.08 41.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 91' ' ' PHE . 15.1 m -39.83 -49.57 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.975 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.56 -52.19 49.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.52 -40.45 59.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.023 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.983 HD11 HD21 ' A' ' 11' ' ' LEU . 27.3 mt -64.13 -56.49 14.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.593 HD12 ' O ' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -56.3 -56.6 19.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -37.25 -69.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.981 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -39.67 -39.65 0.79 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 115.49 15.38 7.6 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.464 1.103 . . . . 0.0 110.974 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.578 ' CD1' ' CD2' ' A' ' 12' ' ' TYR . 23.7 m-85 -72.4 -16.12 61.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.757 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.593 ' O ' HD12 ' A' ' 67' ' ' LEU . 14.8 mt -135.2 122.37 21.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.434 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . 17.5 mm-40 -98.08 137.3 20.84 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 145.28 31.23 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.802 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -149.59 114.56 5.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 120.25 -92.61 0.52 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' SER . 0.3 OUTLIER -165.35 -172.59 2.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.751 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.0 mp 65.26 -77.15 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.45 ' HB2' ' CE1' ' A' ' 99' ' ' TYR . 78.9 p -45.36 -48.11 13.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.67 -59.26 4.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -48.8 -34.05 11.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.446 ' HA ' ' CG1' ' A' ' 86' ' ' ILE . . . -69.7 -58.94 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -49.6 -25.37 2.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -55.63 -63.16 1.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 166.7 50.18 0.03 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.651 HG22 ' N ' ' A' ' 87' ' ' ALA . 3.4 mm -67.5 -75.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 0.749 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.651 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -137.29 -145.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.95 8.75 36.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -133.53 106.58 11.96 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.463 ' HB2' ' CD2' ' A' ' 67' ' ' LEU . 18.4 Cg_endo -74.99 -31.94 5.81 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.48 1.779 . . . . 0.0 111.024 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 63' ' ' SER . 3.6 t80 -77.95 153.86 32.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.435 HD11 ' HB2' ' A' ' 82' ' ' ALA . 21.4 mt -134.44 113.29 11.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -73.33 67.68 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.14 147.14 62.66 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -11.33 21.51 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.454 1.766 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.515 ' O ' ' CZ ' ' A' ' 98' ' ' PHE . 18.1 m-20 -79.74 -46.53 16.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.98 143.59 56.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.515 ' CZ ' ' O ' ' A' ' 96' ' ' ASP . 16.6 m-85 -133.39 149.38 51.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.534 ' CE1' HD13 ' A' ' 67' ' ' LEU . 94.0 m-85 -140.68 163.77 31.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.434 ' CE1' ' HB2' ' A' ' 73' ' ' GLN . 26.5 p90 -156.46 150.05 24.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -70.96 142.69 88.08 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 111.036 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 72.17 4.75 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.541 1.811 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -176.75 -40.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.043 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.746 HD22 ' CD2' ' A' ' 66' ' ' LEU . 78.9 mt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -35.81 -55.48 1.09 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.4 -49.87 6.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.763 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 8' ' ' LEU . 41.6 mt -55.09 -62.73 1.47 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.526 ' CG ' ' CD1' ' A' ' 71' ' ' TYR . 31.0 t80 -46.77 -43.41 18.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 78.7 mt -59.77 -47.19 86.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.82 -50.08 53.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.991 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 11.1 mtp -48.76 -22.17 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.428 ' CG ' ' O ' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -68.86 -43.41 75.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.454 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 2.2 t0 -56.64 116.71 13.78 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -2.15 12.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.545 1.813 . . . . 0.0 110.999 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -119.05 -54.01 2.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 110.328 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -94.18 14.8 18.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.454 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -138.53 -154.31 6.43 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.795 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -68.54 155.19 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.778 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.4 ' O ' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -82.7 178.21 8.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -146.44 95.73 2.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.92 153.65 20.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.969 ' C ' HD13 ' A' ' 27' ' ' LEU . 7.6 p-10 -101.54 125.41 48.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.969 HD13 ' C ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.425 HG12 ' OD1' ' A' ' 35' ' ' ASN . 76.1 t . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.452 ' CE1' ' HB1' ' A' ' 75' ' ' ALA . 52.9 m-85 -70.97 104.16 2.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.939 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.425 ' OD1' HG12 ' A' ' 33' ' ' VAL . 2.0 m120 -99.92 142.25 31.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 60.46 50.95 5.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.54 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.487 ' C ' HD23 ' A' ' 38' ' ' LEU . 66.9 m -121.44 166.37 14.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 108.279 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.615 ' O ' HG23 ' A' ' 39' ' ' THR . 1.0 OUTLIER -118.41 -150.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.615 HG23 ' O ' ' A' ' 38' ' ' LEU . 2.3 p -157.4 137.03 12.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.428 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -45.58 -44.31 11.67 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 110.948 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.8 t -75.45 -53.25 8.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 109.954 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -50.8 -44.5 48.8 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 111.055 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.795 ' HA ' HD11 ' A' ' 22' ' ' ILE . 39.9 t -51.4 -42.71 28.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.711 HG21 ' HD2' ' A' ' 56' ' ' ARG . 17.5 mt -78.61 -27.11 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -63.84 -39.42 94.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.528 ' CG ' HG13 ' A' ' 22' ' ' ILE . 85.9 t90 -67.4 -34.83 78.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 107.989 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.901 HD23 HD12 ' A' ' 52' ' ' LEU . 81.2 mt -64.87 -53.9 39.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.2 t -67.77 -43.23 86.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.9 m -46.7 -50.15 18.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.971 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.421 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 8.8 m-80 -82.16 -20.17 38.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 4.4 mmtt 82.72 53.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.901 HD12 HD23 ' A' ' 47' ' ' LEU . 12.0 mt -82.94 -20.83 34.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 2.8 m -132.15 -172.13 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.3 mtt-85 -95.87 -23.05 17.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.334 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.442 ' N ' ' ND2' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -157.95 176.23 12.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.252 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.711 ' HD2' HG21 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -63.98 -40.12 95.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.243 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.439 ' CB ' ' OD1' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -48.45 -66.64 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.102 . . . . 0.0 110.335 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.477 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 1.8 mt-10 -38.29 -49.34 1.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.493 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -57.76 -49.2 76.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -44.18 -50.15 8.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 32.0 mtm -63.97 -57.08 10.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 65' ' ' SER . 11.6 mm -51.28 -55.27 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.547 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 5.7 m -37.3 -51.23 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.971 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -50.78 -50.78 55.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.255 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -49.6 -42.77 45.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.97 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.746 ' CD2' HD22 ' A' ' 8' ' ' LEU . 2.2 mm? -62.49 -56.76 15.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.242 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.693 HD12 ' O ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -53.55 -57.81 9.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.1 OUTLIER -42.69 -64.67 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.044 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -40.52 -29.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 68' ' ' SER . . . 102.83 28.18 6.35 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.526 ' CD1' ' CG ' ' A' ' 12' ' ' TYR . 26.3 m-85 -89.27 -20.3 24.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 0.775 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.693 ' O ' HD12 ' A' ' 67' ' ' LEU . 15.5 mt -132.95 118.79 19.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.412 ' HB2' ' CZ ' ' A' ' 100' ' ' TYR . 92.1 mm-40 -91.93 144.16 28.84 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 136.82 20.83 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.542 1.812 . . . . 0.0 110.958 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.452 ' HB1' ' CE1' ' A' ' 34' ' ' PHE . . . -125.65 72.66 1.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 149.23 164.01 11.34 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.457 1.098 . . . . 0.0 110.981 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.86 -46.45 81.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 0.792 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 tt -47.39 -62.09 1.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.691 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 88.0 p -55.33 -53.84 51.06 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.564 1.165 . . . . 0.0 109.985 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -40.77 -68.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -43.8 -47.65 8.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.813 ' HB1' ' O ' ' A' ' 90' ' ' PRO . . . -46.32 -56.15 6.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.81 55.18 2.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -137.46 -61.15 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.263 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -179.71 38.06 0.07 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.422 HD13 ' HA ' ' A' ' 86' ' ' ILE . 4.4 mm -71.04 -64.97 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.405 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -152.95 -143.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.79 9.85 40.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -134.23 108.16 11.35 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.813 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 18.5 Cg_endo -74.95 -37.97 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.789 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.547 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 2.7 t80 -76.37 140.78 41.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 94' ' ' SER . 45.2 mt -123.07 112.87 18.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -68.61 68.1 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 92' ' ' LEU . 1.1 t -135.4 147.02 60.22 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.999 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -11.86 21.39 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.797 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.558 ' O ' ' CE2' ' A' ' 98' ' ' PHE . 2.9 m-20 -80.93 -44.26 18.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.01 122.04 16.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.558 ' CE2' ' O ' ' A' ' 96' ' ' ASP . 78.3 m-85 -112.61 151.39 30.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.414 ' CE1' ' HB2' ' A' ' 79' ' ' SER . 64.2 m-85 -146.51 168.01 22.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.412 ' CZ ' ' HB2' ' A' ' 73' ' ' GLN . 27.8 p90 -159.19 161.95 36.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 18.7 m-85 -80.81 142.82 53.01 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.952 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 101' ' ' PHE . 18.3 Cg_endo -75.01 70.15 5.38 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.462 1.769 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -176.07 -39.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.951 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.745 HD22 ' CD2' ' A' ' 66' ' ' LEU . 57.8 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -33.0 -69.16 0.16 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.53 -44.7 46.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 109.263 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.888 HD13 ' N ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -59.17 -53.51 57.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.888 ' N ' HD13 ' A' ' 11' ' ' LEU . 17.9 t80 -53.17 -41.87 65.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 16' ' ' LYS . 31.4 mt -57.72 -36.88 72.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -47.5 73.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 109.997 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.7 mtt -49.79 -38.85 36.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.95 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -50.67 -45.98 58.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.47 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 2.5 t0 -54.22 113.23 4.8 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -0.67 10.26 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.532 1.806 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -119.25 -54.61 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -94.13 12.4 26.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.47 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -135.83 -151.64 6.2 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.737 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -71.25 153.29 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.756 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.07 146.74 24.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -124.19 105.71 9.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.449 HD22 ' N ' ' A' ' 25' ' ' LEU . 2.2 mm? -98.82 162.83 12.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.423 ' ND2' ' O ' ' A' ' 26' ' ' ASN . 2.2 p-10 -87.54 86.65 7.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 mt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.9 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -96.26 107.51 19.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.532 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 6.5 m-80 -94.58 35.96 1.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.532 ' CD2' ' O ' ' A' ' 35' ' ' ASN . 6.6 m-70 -179.36 47.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.554 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.597 ' C ' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -120.33 170.08 9.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 108.308 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.652 ' O ' HG23 ' A' ' 39' ' ' THR . 3.6 mt -119.85 -148.64 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 38' ' ' LEU . 5.3 p -158.82 127.54 5.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.364 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -38.67 -45.8 2.06 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.85 -57.37 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.981 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -44.21 -45.97 8.11 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.119 . . . . 0.0 110.958 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.737 ' HA ' HD11 ' A' ' 22' ' ' ILE . 69.4 t -52.37 -49.31 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.553 HG21 ' HG3' ' A' ' 56' ' ' ARG . 43.1 mt -73.1 -21.85 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.438 ' O ' ' CB ' ' A' ' 49' ' ' SER . 3.7 t70 -72.49 -39.79 67.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.538 ' CG ' HG13 ' A' ' 22' ' ' ILE . 87.0 t90 -68.15 -33.48 74.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 108.016 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 1.034 HD23 HD12 ' A' ' 52' ' ' LEU . 86.3 mt -67.24 -53.39 30.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.4 ' O ' ' CE ' ' A' ' 51' ' ' LYS . 78.7 t -68.52 -39.89 81.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 45' ' ' ASP . 3.0 m -50.89 -52.78 38.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.959 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -82.16 -16.36 50.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.4 ' CE ' ' O ' ' A' ' 48' ' ' VAL . 3.2 mmtt 77.97 69.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 1.034 HD12 HD23 ' A' ' 47' ' ' LEU . 15.3 mt -100.14 -14.88 18.36 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.414 1.071 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.416 ' HB ' ' CB ' ' A' ' 58' ' ' GLU . 5.0 m -133.8 -172.47 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.6 mtt180 -88.3 -24.19 23.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.711 HD22 ' N ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -176.12 167.53 2.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.343 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.553 ' HG3' HG21 ' A' ' 44' ' ' ILE . 3.5 ttm180 -43.58 -46.68 7.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -43.82 -63.26 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.416 ' CB ' ' HB ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -49.17 -49.2 43.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.538 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -53.14 -48.17 59.4 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.537 1.148 . . . . 0.0 111.057 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.95 -51.53 23.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 0.771 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 15.9 mtm -62.59 -56.94 13.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 111.05 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 63' ' ' SER . 43.9 mm -48.86 -55.52 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.555 ' HB3' ' CD2' ' A' ' 91' ' ' PHE . 2.9 m -37.83 -54.86 1.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.966 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -46.76 -52.42 14.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.1 -42.75 19.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.777 HD11 ' CD1' ' A' ' 11' ' ' LEU . 1.6 mm? -65.6 -53.44 41.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.422 ' CD2' ' HB2' ' A' ' 90' ' ' PRO . 1.7 tp -54.66 -51.53 65.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.26 -63.88 0.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 110.016 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -41.47 -37.87 1.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 111.15 20.24 7.21 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.609 ' CD1' ' CD2' ' A' ' 12' ' ' TYR . 32.1 m-85 -79.15 -19.63 50.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 0.751 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.5 mt -129.33 121.34 27.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.54 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . 65.2 mm-40 -97.1 143.7 26.58 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.23 4.53 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.515 1.797 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.579 ' HB2' ' CD1' ' A' ' 100' ' ' TYR . . . -107.53 98.14 7.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 136.55 -136.12 8.17 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -126.75 -51.85 1.46 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.753 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.43 -31.6 55.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 52.0 p -76.08 -23.45 55.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.021 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -76.02 -24.71 55.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -82.16 -17.77 45.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.796 ' HB1' ' O ' ' A' ' 90' ' ' PRO . . . -70.1 -42.96 72.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.37 30.06 2.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.335 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.63 -63.48 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.165 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 158.6 42.74 0.02 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.582 HG22 ' N ' ' A' ' 87' ' ' ALA . 13.8 mt -60.91 -80.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 0.77 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.582 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -133.93 -140.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.93 7.89 42.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -135.65 106.51 9.91 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.796 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 18.5 Cg_endo -74.9 -41.02 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.535 1.808 . . . . 0.0 111.041 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.555 ' CD2' ' HB3' ' A' ' 63' ' ' SER . 3.9 t80 -62.54 149.18 43.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 94' ' ' SER . 18.1 mt -125.32 111.29 15.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -69.6 63.99 0.18 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.355 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 92' ' ' LEU . 1.6 t -134.77 145.37 54.5 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.995 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -4.23 15.1 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.51 ' O ' ' CE1' ' A' ' 98' ' ' PHE . 7.2 m-20 -86.0 -54.28 4.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -53.34 122.45 9.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.51 ' CE1' ' O ' ' A' ' 96' ' ' ASP . 25.3 m-85 -109.61 155.07 21.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 38' ' ' LEU . 95.8 m-85 -153.96 162.87 40.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.579 ' CD1' ' HB2' ' A' ' 75' ' ' ALA . 15.3 p90 -150.88 161.86 41.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.636 ' CE1' HD11 ' A' ' 38' ' ' LEU . 10.6 m-85 -84.2 139.36 39.23 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 71.64 4.98 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.474 1.776 . . . . 0.0 111.01 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 176.77 -42.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.364 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.972 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.541 HD22 ' HG ' ' A' ' 66' ' ' LEU . 9.2 mt . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -36.58 -73.13 0.13 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -42.79 -45.93 5.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 0.797 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.661 HD21 HD11 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -58.92 -56.44 22.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.59 ' CD2' ' CD1' ' A' ' 71' ' ' TYR . 21.7 t80 -50.94 -46.43 60.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.8 mt -50.74 -39.13 51.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.85 -48.23 63.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.991 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.1 mtt -45.96 -28.37 1.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 111.048 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.58 -45.9 88.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.493 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.3 t70 -53.74 113.64 5.2 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -1.46 11.24 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.532 1.806 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -118.29 -54.24 2.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.344 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -95.09 13.08 26.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.493 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -137.24 -154.54 6.69 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.84 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -76.07 151.89 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.764 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.08 161.08 14.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.491 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -132.34 121.46 23.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.294 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.31 170.66 7.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 26' ' ' ASN . 2.3 p-10 -96.06 84.97 3.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.153 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.8 t . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -70.66 101.4 2.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -93.47 151.27 19.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.441 ' ND1' ' OE2' ' A' ' 24' ' ' GLU . 46.4 m-70 53.59 39.92 30.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 109.575 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.686 ' C ' HD23 ' A' ' 38' ' ' LEU . 1.7 m -115.83 174.84 5.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 108.301 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.686 HD23 ' C ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -127.52 -150.37 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.527 ' O ' HG23 ' A' ' 43' ' ' VAL . 4.1 p -142.74 -168.51 2.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.414 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.97 -44.4 1.64 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 t -75.84 -52.78 9.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 0.755 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -48.26 -47.04 28.05 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.438 1.086 . . . . 0.0 110.963 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.84 ' HA ' HD11 ' A' ' 22' ' ' ILE . 42.8 t -45.9 -41.53 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.961 ' HA ' HD12 ' A' ' 47' ' ' LEU . 12.9 mt -77.34 -42.12 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -51.5 -40.11 58.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.511 ' CG ' HG13 ' A' ' 22' ' ' ILE . 78.7 t90 -65.39 -40.18 93.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 107.989 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.961 HD12 ' HA ' ' A' ' 44' ' ' ILE . 13.1 mt -59.82 -46.91 87.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.2 t -71.93 -44.31 67.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.53 -48.78 38.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.987 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.41 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 10.6 m-80 -81.02 -19.9 42.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 4.9 mmtt 81.04 68.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.948 HD12 HD23 ' A' ' 47' ' ' LEU . 13.8 mt -102.48 -21.4 14.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.9 m -131.56 -171.79 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -97.92 -23.4 15.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.284 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.631 HD22 ' N ' ' A' ' 55' ' ' ASN . 0.1 OUTLIER -159.5 174.89 13.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.735 ' HD2' HG21 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -61.41 -41.89 97.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.324 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.496 ' CB ' ' OD1' ' A' ' 55' ' ' ASN . 5.2 tm0? -48.0 -67.34 0.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 57' ' ' GLN . 1.3 tt0 -38.13 -50.1 1.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.563 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -54.77 -44.58 80.63 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.9 OUTLIER -48.96 -55.4 11.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.757 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 29.6 mtm -56.38 -53.58 55.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 63' ' ' SER . 27.0 mm -55.58 -52.06 51.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.573 ' HB3' ' CD2' ' A' ' 91' ' ' PHE . 43.0 m -39.27 -56.32 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.586 ' HB1' ' HD2' ' A' ' 90' ' ' PRO . . . -47.45 -48.82 26.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.58 -37.74 63.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.661 HD11 HD21 ' A' ' 11' ' ' LEU . 7.5 mt -69.41 -54.52 14.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -56.2 -57.42 12.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -42.1 -65.44 0.46 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -39.04 -38.91 0.5 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.426 1.079 . . . . 0.0 110.293 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 113.84 22.41 5.35 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.59 ' CD1' ' CD2' ' A' ' 12' ' ' TYR . 33.4 m-85 -82.24 -14.68 55.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 0.782 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.413 ' O ' HD12 ' A' ' 67' ' ' LEU . 13.9 mt -137.43 117.82 13.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.414 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 49.4 mm-40 -88.67 138.34 29.82 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -75.02 142.7 28.1 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.483 1.78 . . . . 0.0 110.948 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -136.83 113.33 10.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 128.92 -120.7 3.35 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.138 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.88 -48.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 0.738 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.417 ' CD2' HD22 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -47.19 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.74 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 1.3 m -47.52 -36.16 9.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -59.11 -47.26 85.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -57.69 -17.89 17.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.876 ' HA ' HD12 ' A' ' 86' ' ' ILE . . . -72.44 -56.83 4.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.1 -14.0 32.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -53.59 -64.88 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 157.82 43.74 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.477 1.11 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.876 HD12 ' HA ' ' A' ' 82' ' ' ALA . 24.0 mt -64.91 -72.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.481 0.754 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.442 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -145.29 -138.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.89 11.25 37.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -129.37 85.31 59.52 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.625 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 18.5 Cg_endo -74.96 -21.05 16.35 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.499 1.789 . . . . 0.0 111.009 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.656 ' C ' HD12 ' A' ' 92' ' ' LEU . 6.0 t80 -84.13 131.25 34.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.706 HD12 ' N ' ' A' ' 92' ' ' LEU . 1.0 OUTLIER -106.04 108.79 20.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.431 ' OD1' ' NE ' ' A' ' 56' ' ' ARG . 6.3 t0 -69.39 67.42 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -145.02 152.42 51.37 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.97 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -8.34 19.92 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.499 1.789 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.44 ' O ' ' CE1' ' A' ' 98' ' ' PHE . 4.7 m-20 -76.94 -55.8 5.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.07 129.19 37.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.118 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.44 ' CE1' ' O ' ' A' ' 96' ' ' ASP . 25.0 m-85 -115.9 137.5 52.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 111.037 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 79' ' ' SER . 32.8 m-85 -135.96 158.1 45.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -152.2 147.93 26.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.421 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 22.3 m-85 -66.96 150.26 97.99 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 73.73 4.23 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.477 1.777 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 p30 174.79 -42.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.006 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.778 HD22 ' CD2' ' A' ' 66' ' ' LEU . 65.3 mt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -38.59 -71.0 0.26 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.55 1.156 . . . . 0.0 110.992 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.55 -45.46 9.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.641 ' CD2' HD11 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -59.05 -56.12 26.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.604 ' CG ' ' CD1' ' A' ' 71' ' ' TYR . 22.2 t80 -50.94 -43.5 60.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 13' ' ' LEU . 27.9 mt -54.69 -40.39 69.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.01 -51.01 64.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 101' ' ' PHE . 11.4 mtt -45.38 -25.04 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -67.78 -44.98 76.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.468 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.2 t70 -55.51 115.33 9.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -2.31 12.38 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.483 1.781 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -118.72 -54.25 2.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -93.59 13.56 21.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.468 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -138.63 -153.73 6.26 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.923 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -75.97 152.52 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 0.794 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.641 ' HB3' HD21 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -82.47 176.1 9.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.361 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.7 ' C ' HD22 ' A' ' 25' ' ' LEU . 34.5 mt-10 -142.03 100.0 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.738 HD22 ' N ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -121.03 149.64 42.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.334 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -77.89 144.95 36.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.254 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.9 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -70.77 104.03 2.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -89.54 159.15 17.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.254 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 42.3 70.72 0.26 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.595 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.1 m -130.38 164.62 24.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 108.295 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.727 ' O ' HG23 ' A' ' 39' ' ' THR . 0.3 OUTLIER -122.98 -155.45 0.65 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.834 ' O ' HG13 ' A' ' 43' ' ' VAL . 1.9 p -160.82 136.76 8.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 110.399 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.53 -25.74 35.99 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.438 ' O ' ' NH2' ' A' ' 56' ' ' ARG . 7.4 t -84.69 -38.01 20.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.36 -41.35 25.95 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.923 ' HA ' HD11 ' A' ' 22' ' ' ILE . 17.4 m -55.53 -55.38 17.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 0.754 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.74 ' HA ' HD12 ' A' ' 47' ' ' LEU . 79.8 mt -54.92 -41.62 59.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -56.27 -36.95 69.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.516 ' CG ' HG13 ' A' ' 22' ' ' ILE . 83.1 t90 -70.75 -34.91 72.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 107.981 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.74 HD12 ' HA ' ' A' ' 44' ' ' ILE . 67.8 mt -61.26 -51.53 68.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 41.3 t -69.08 -46.06 78.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.56 1.163 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.82 -52.37 8.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.985 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.432 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 14.6 m-80 -77.0 -21.99 53.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 5.2 mmtt 83.44 53.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.498 HD12 HD23 ' A' ' 47' ' ' LEU . 11.5 mt -83.92 -29.27 27.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.49 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 2.4 m -127.35 -175.5 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -97.03 -28.09 14.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.478 ' N ' ' ND2' ' A' ' 55' ' ' ASN . 0.2 OUTLIER -147.65 169.57 19.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.256 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.463 ' HG3' ' CG2' ' A' ' 44' ' ' ILE . 5.5 ttt-85 -60.32 -43.94 95.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.408 ' O ' ' HB3' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -46.43 -61.83 1.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.364 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.49 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 1.9 mt-10 -44.38 -45.01 8.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -57.73 -44.05 94.27 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.408 ' HB3' ' O ' ' A' ' 57' ' ' GLN . 4.7 tp -53.81 -63.89 1.0 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 0.758 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.484 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 28.2 mtm -48.59 -54.02 16.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 65' ' ' SER . 8.4 mm -52.84 -57.45 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.584 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 3.4 m -37.59 -48.45 1.02 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 61' ' ' MET . . . -48.79 -50.39 34.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.2 OUTLIER -55.08 -40.16 70.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.032 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.778 ' CD2' HD22 ' A' ' 8' ' ' LEU . 1.2 mm? -65.13 -56.26 13.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.511 ' CD1' ' CE1' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -54.21 -58.03 8.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -42.76 -64.62 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.005 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 68' ' ' SER . 53.1 mm-40 -38.62 -36.86 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 112.14 16.89 8.67 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.604 ' CD1' ' CG ' ' A' ' 12' ' ' TYR . 34.6 m-85 -75.71 -24.66 56.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 0.785 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.486 ' O ' HD12 ' A' ' 67' ' ' LEU . 20.7 mt -130.84 114.82 15.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -91.53 137.8 25.64 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 148.53 35.49 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.472 1.775 . . . . 0.0 111.047 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.41 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -149.96 105.25 3.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 125.64 -122.97 4.74 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.488 1.118 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.525 ' HB3' HD12 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -131.7 -172.9 2.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 0.787 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.525 HD12 ' HB3' ' A' ' 77' ' ' ASP . 8.6 mp 64.45 -77.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.813 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 12.8 p -44.81 -67.26 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.437 ' C ' ' N ' ' A' ' 82' ' ' ALA . 2.6 ttpp -46.53 -65.7 0.52 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -40.25 -30.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.813 ' HB3' ' O ' ' A' ' 79' ' ' SER . . . -68.04 -63.79 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -45.14 -26.67 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 82' ' ' ALA . 1.2 t0 -58.35 -61.73 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 164.42 57.32 0.02 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.702 HG22 ' N ' ' A' ' 87' ' ' ALA . 3.3 mm -75.36 -78.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.702 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -132.5 -144.79 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.04 7.78 45.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -135.35 105.99 10.16 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.421 ' O ' ' CD1' ' A' ' 92' ' ' LEU . 18.3 Cg_endo -74.97 -24.6 12.72 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.779 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.671 ' C ' HD12 ' A' ' 92' ' ' LEU . 1.5 t80 -86.64 129.93 34.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.698 HD12 ' N ' ' A' ' 92' ' ' LEU . 1.1 mp -107.98 107.64 18.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.553 ' OD1' HD12 ' A' ' 44' ' ' ILE . 11.2 t0 -67.46 69.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -147.0 152.41 43.68 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.015 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.4 ' HA ' ' HB ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -74.96 -9.39 20.81 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.529 1.805 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.66 -47.71 25.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.83 115.54 5.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -102.92 140.55 37.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.511 ' CE1' ' CD1' ' A' ' 67' ' ' LEU . 58.0 m-85 -139.64 150.5 45.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.41 ' CE1' ' HB2' ' A' ' 75' ' ' ALA . 30.9 p90 -142.89 142.88 31.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.41 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 32.6 m-85 -64.72 147.86 97.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 76.55 3.38 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.518 1.799 . . . . 0.0 110.961 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 172.15 -34.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.992 -179.956 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.507 ' O ' ' C ' ' A' ' 9' ' ' GLY . 6.0 mp . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.507 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -28.7 -69.45 0.07 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.48 1.113 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.22 -56.13 10.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 0.797 . . . . 0.0 109.335 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.01 ' CD1' HD21 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -51.06 -56.3 13.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.974 ' N ' HD13 ' A' ' 11' ' ' LEU . 37.8 t80 -50.85 -52.24 43.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.531 HD23 ' HE3' ' A' ' 16' ' ' LYS . 20.4 mt -43.09 -40.75 3.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.61 -50.07 66.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.053 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 8.3 mtp -48.94 -30.04 5.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 111.048 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.531 ' HE3' HD23 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -61.98 -40.5 95.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.505 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 2.5 t0 -56.5 112.99 5.13 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -0.7 10.27 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.528 1.804 . . . . 0.0 111.044 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -118.03 -54.68 2.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.6 mtmm -97.76 16.12 21.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.505 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -139.62 -154.92 6.45 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.827 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -69.97 158.21 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 0.761 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.695 ' HB3' HD21 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -94.43 144.2 25.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.621 ' C ' HD22 ' A' ' 25' ' ' LEU . 20.7 mt-10 -114.11 107.17 15.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.695 HD21 ' HB3' ' A' ' 23' ' ' LYS . 1.2 mm? -120.34 161.23 21.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.818 HD21 HG13 ' A' ' 33' ' ' VAL . 1.1 t30 -88.14 125.38 34.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.1 mt . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.818 HG13 HD21 ' A' ' 26' ' ' ASN . 38.4 t . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.701 ' CE1' ' HB1' ' A' ' 75' ' ' ALA . 48.5 m-85 -71.08 108.21 4.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -82.68 149.64 27.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 39.92 55.59 2.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.61 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.674 ' O ' HD23 ' A' ' 38' ' ' LEU . 0.8 OUTLIER -106.61 170.38 7.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 108.33 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.799 HD11 ' CZ ' ' A' ' 101' ' ' PHE . 1.1 mt -131.69 -149.17 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 38' ' ' LEU . 2.7 p -159.94 127.99 4.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -37.91 -45.96 1.66 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 t -69.31 -59.07 3.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 0.0 110.015 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -48.06 -50.52 21.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.827 ' HA ' HD11 ' A' ' 22' ' ' ILE . 56.1 t -44.04 -45.48 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.489 0.758 . . . . 0.0 109.294 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.943 ' HA ' HD12 ' A' ' 47' ' ' LEU . 19.4 mt -73.46 -45.2 52.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -44.87 -45.86 10.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.516 ' CG ' HG13 ' A' ' 22' ' ' ILE . 86.6 t90 -60.57 -47.85 84.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 107.999 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 1.0 HD23 HD12 ' A' ' 52' ' ' LEU . 15.5 mt -51.99 -56.9 11.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.7 t -62.16 -47.36 93.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.86 -52.05 12.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.017 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.421 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 9.5 m-80 -81.18 -19.84 42.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 47' ' ' LEU . 4.1 mmtt 81.67 62.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 1.0 HD12 HD23 ' A' ' 47' ' ' LEU . 13.1 mt -95.47 -15.09 23.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.435 ' HB ' ' CB ' ' A' ' 58' ' ' GLU . 6.5 m -138.48 -175.01 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -82.3 -29.14 31.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.252 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -169.12 -178.02 3.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.687 ' HD2' HG21 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -55.72 -38.28 69.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -52.27 -71.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 110.327 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.435 ' CB ' ' HB ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -38.26 -51.54 1.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.552 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -50.77 -50.11 38.6 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.442 1.089 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.402 HD22 ' O ' ' A' ' 60' ' ' LEU . 1.6 tm? -47.52 -54.04 12.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 0.0 109.343 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 24.9 mtp -58.68 -52.92 63.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.2 mm -55.51 -49.7 71.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.561 ' HB3' ' CD2' ' A' ' 91' ' ' PHE . 5.1 m -41.27 -56.03 2.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.958 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.551 ' HB1' ' HD2' ' A' ' 90' ' ' PRO . . . -44.11 -46.49 8.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.0 -39.46 63.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.03 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 1.01 HD21 ' CD1' ' A' ' 11' ' ' LEU . 16.4 mt -67.62 -56.39 9.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.632 HD12 ' O ' ' A' ' 72' ' ' LEU . 15.9 tp -52.02 -56.72 12.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -38.63 -67.42 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 110.041 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -42.24 -36.37 1.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.332 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 111.49 28.86 3.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.56 1.163 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.687 ' C ' HD22 ' A' ' 72' ' ' LEU . 24.4 m-85 -83.82 -21.1 32.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.766 . . . . 0.0 111.003 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.687 HD22 ' C ' ' A' ' 71' ' ' TYR . 2.7 mm? -121.95 121.79 37.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.575 ' CB ' ' CZ ' ' A' ' 100' ' ' TYR . 24.0 mm-40 -96.63 132.64 25.86 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.99 134.29 17.66 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.528 1.804 . . . . 0.0 111.033 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.701 ' HB1' ' CE1' ' A' ' 34' ' ' PHE . . . -138.37 88.02 2.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 115.2 176.85 18.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 79' ' ' SER . 6.3 t0 -56.09 -176.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 0.798 . . . . 0.0 109.348 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.0 mp 64.13 -79.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.718 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 0.4 OUTLIER -48.03 -64.52 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.036 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.59 -64.05 0.57 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.451 ' O ' ' CB ' ' A' ' 84' ' ' ASP . 0.6 OUTLIER -51.68 -44.74 63.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.999 ' HB1' ' O ' ' A' ' 90' ' ' PRO . . . -42.95 -54.62 4.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.02 48.0 1.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.359 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.451 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 16.8 t70 -116.42 -65.1 1.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 170.89 38.76 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.438 1.086 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.743 HD12 ' HA ' ' A' ' 82' ' ' ALA . 11.9 mt -65.48 -78.06 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 0.758 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.522 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -136.77 -140.29 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.39 -17.01 25.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -107.78 103.13 48.35 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.999 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 18.2 Cg_endo -75.06 -27.9 9.53 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 63' ' ' SER . 1.8 t80 -79.26 140.25 37.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 94' ' ' SER . 44.5 mt -115.48 109.25 17.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.443 ' OD1' ' NE ' ' A' ' 56' ' ' ARG . 5.0 t70 -68.14 69.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -140.08 149.88 60.02 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.032 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -9.55 20.83 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.792 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.424 ' O ' ' CE1' ' A' ' 98' ' ' PHE . 0.8 OUTLIER -79.3 -66.31 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -42.34 119.94 1.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.424 ' CE1' ' O ' ' A' ' 96' ' ' ASP . 22.5 m-85 -107.52 144.95 33.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.439 ' CE1' HD13 ' A' ' 67' ' ' LEU . 26.5 m-85 -142.87 148.67 37.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.575 ' CZ ' ' CB ' ' A' ' 73' ' ' GLN . 35.1 p90 -138.01 144.33 41.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.799 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 14.2 m-85 -69.2 135.12 89.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 66.19 6.02 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.528 1.804 . . . . 0.0 111.03 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -179.86 -39.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.012 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 9' ' ' GLY . 5.8 mp . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -33.86 -72.94 0.09 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.01 -51.42 5.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 0.747 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.958 HD21 ' CD1' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -55.53 -56.34 21.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.494 ' CG ' ' CD1' ' A' ' 71' ' ' TYR . 34.3 t80 -52.14 -48.12 65.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.9 mt -48.45 -40.24 25.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.48 -48.96 63.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.4 mtt -48.27 -22.76 0.72 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.44 -42.7 74.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.47 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.7 t70 -56.32 114.77 8.31 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -1.13 10.84 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -119.27 -54.1 2.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.27 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -95.58 15.27 20.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.47 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -138.24 -155.52 6.82 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.913 HG21 HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -71.84 154.01 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.74 . . . . 0.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -91.43 158.25 16.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.557 ' C ' HD22 ' A' ' 25' ' ' LEU . 6.9 mt-10 -117.81 107.86 14.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.632 HD22 ' N ' ' A' ' 25' ' ' LEU . 1.7 mm? -114.28 170.1 8.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.527 ' OD1' ' ND2' ' A' ' 35' ' ' ASN . 22.5 m-80 -110.79 121.34 45.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.84 HD12 ' SG ' ' A' ' 37' ' ' CYS . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -81.85 104.01 11.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.527 ' ND2' ' OD1' ' A' ' 26' ' ' ASN . 11.8 m120 -93.59 147.56 22.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 56.79 44.42 23.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.098 . . . . 0.0 109.566 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.84 ' SG ' HD12 ' A' ' 27' ' ' LEU . 29.7 p -117.32 169.71 9.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 108.323 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.913 HD22 HG21 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -115.39 -149.47 0.45 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.362 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.588 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.4 p -156.25 129.55 8.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.413 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -38.66 -56.18 2.07 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.544 1.153 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.449 ' O ' ' NH2' ' A' ' 56' ' ' ARG . 4.8 t -62.06 -61.22 2.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 0.784 . . . . 0.0 109.993 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -39.75 -46.93 3.07 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.792 ' HA ' HD11 ' A' ' 22' ' ' ILE . 75.4 t -50.49 -58.1 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.62 HG23 ' HA3' ' A' ' 59' ' ' GLY . 56.3 mt -63.88 -26.02 39.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.539 ' N ' HH21 ' A' ' 56' ' ' ARG . 0.9 OUTLIER -70.15 -47.23 62.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.505 ' CG ' HG13 ' A' ' 22' ' ' ILE . 80.8 t90 -59.86 -29.03 68.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 108.003 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.904 HD23 HD12 ' A' ' 52' ' ' LEU . 84.2 mt -68.5 -52.76 28.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 49.3 t -68.77 -37.32 77.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.35 -51.29 62.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.983 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.438 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 9.7 m-80 -80.86 -20.83 41.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 8.8 mmtt 84.33 58.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.904 HD12 HD23 ' A' ' 47' ' ' LEU . 12.2 mt -93.01 -22.03 19.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.422 ' HB ' ' CB ' ' A' ' 58' ' ' GLU . 34.1 m -131.79 -178.1 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -96.72 -29.44 13.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -152.98 155.31 36.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.539 HH21 ' N ' ' A' ' 45' ' ' ASP . 4.2 mtp180 -43.13 -43.13 4.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 110.346 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.1 tm0? -44.79 -63.19 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.422 ' CB ' ' HB ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -46.08 -49.81 15.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.259 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.62 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -54.48 -44.54 77.68 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.554 1.159 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.602 HD11 ' O ' ' A' ' 91' ' ' PHE . 14.3 tp -55.08 -63.68 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 31.6 mtm -45.87 -51.03 13.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 65' ' ' SER . 9.5 mm -57.22 -55.97 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.072 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 91' ' ' PHE . 58.4 m -38.44 -53.84 1.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.014 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.5 ' HB1' ' HD2' ' A' ' 90' ' ' PRO . . . -47.9 -47.68 31.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.2 OUTLIER -56.87 -36.93 70.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.958 ' CD1' HD21 ' A' ' 11' ' ' LEU . 17.7 mt -69.6 -58.03 4.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.542 1.152 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.675 HD12 ' O ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -50.06 -59.4 3.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.2 OUTLIER -39.5 -68.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.997 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -38.41 -32.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.334 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 107.38 26.13 5.79 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.534 1.147 . . . . 0.0 110.98 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.494 ' CD1' ' CG ' ' A' ' 12' ' ' TYR . 27.8 m-85 -85.01 -23.9 28.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 111.038 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.675 ' O ' HD12 ' A' ' 67' ' ' LEU . 10.7 mt -129.32 110.36 11.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.514 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . 30.0 mm-40 -73.53 130.6 83.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -74.99 129.12 12.06 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.538 1.81 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.704 ' HB2' ' HE2' ' A' ' 100' ' ' TYR . . . -133.55 163.34 29.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.35 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.47 -123.91 6.98 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -141.41 -56.17 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 0.768 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.475 ' CD1' ' HB3' ' A' ' 96' ' ' ASP . 3.4 mt -41.24 -78.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 109.292 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.664 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -38.07 -64.28 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 81' ' ' ASN . 0.4 OUTLIER -42.55 -63.37 0.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 80' ' ' LYS . 0.4 OUTLIER -38.61 -32.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 79' ' ' SER . . . -75.37 -59.95 2.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -44.56 -26.76 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.412 ' N ' ' C ' ' A' ' 82' ' ' ALA . 0.4 OUTLIER -56.34 -60.42 3.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 161.44 62.9 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.592 HG22 ' N ' ' A' ' 87' ' ' ALA . 3.7 mm -81.56 -75.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.592 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -142.04 -144.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.09 12.67 27.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -136.42 93.7 14.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.5 ' HD2' ' HB1' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -75.01 -23.99 13.23 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.479 1.778 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.602 ' O ' HD11 ' A' ' 60' ' ' LEU . 5.2 t80 -84.48 127.27 33.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.637 HD12 ' N ' ' A' ' 92' ' ' LEU . 2.5 mp -104.37 125.62 50.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 93' ' ' ASP . 21.5 t0 -69.87 59.16 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -148.1 142.17 16.24 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.983 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.613 ' O ' ' CE1' ' A' ' 98' ' ' PHE . 18.3 Cg_endo -74.97 1.24 7.94 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.519 1.8 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.608 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 3.4 m-20 -83.05 -54.93 4.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.529 ' HB1' ' HB2' ' A' ' 79' ' ' SER . . . -42.08 -32.32 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.613 ' CE1' ' O ' ' A' ' 95' ' ' PRO . 22.1 m-85 56.78 156.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.638 ' CE1' HD13 ' A' ' 67' ' ' LEU . 6.9 m-85 -169.0 131.76 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.704 ' HE2' ' HB2' ' A' ' 75' ' ' ALA . 36.7 p90 -135.37 149.83 49.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.78 ' CE1' HD11 ' A' ' 38' ' ' LEU . 14.6 m-85 -68.62 141.71 93.24 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 75.67 3.65 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.7 t70 178.65 -37.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.98 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.541 ' HA ' HD23 ' A' ' 11' ' ' LEU . 38.8 mt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -36.87 -72.09 0.17 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.96 -43.94 6.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 0.768 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.772 ' CD2' HD21 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -60.39 -55.08 37.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.599 ' CD2' ' CD1' ' A' ' 71' ' ' TYR . 18.6 t80 -52.25 -45.36 65.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.8 mt -52.69 -38.19 60.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.32 -43.88 69.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.016 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 10.6 mtt -53.27 -19.21 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.962 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -72.48 -39.46 67.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.491 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 2.4 t70 -58.38 112.42 4.89 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.01 9.42 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.542 1.812 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -118.84 -54.59 2.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.44 17.51 18.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -138.0 -155.9 6.98 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.411 1.069 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.829 HG21 HD13 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -75.19 142.76 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 109.332 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.488 ' HD3' ' N ' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -93.65 138.8 31.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.171 . . . . 0.0 109.327 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.545 ' HA ' HD23 ' A' ' 38' ' ' LEU . 1.3 pt-20 -109.79 96.62 6.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.335 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.21 155.14 19.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -86.72 130.39 34.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.823 HD12 ' SG ' ' A' ' 37' ' ' CYS . 6.6 mt . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.9 t . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -76.35 104.11 6.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -87.27 131.98 34.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 74.15 44.89 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.63 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.823 ' SG ' HD12 ' A' ' 27' ' ' LEU . 20.1 p -112.21 160.11 17.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 108.313 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.829 HD13 HG21 ' A' ' 22' ' ' ILE . 8.1 mt -117.82 -145.2 0.38 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.934 ' O ' HG23 ' A' ' 43' ' ' VAL . 2.3 p -159.62 133.97 7.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -46.08 -50.88 11.87 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.464 1.102 . . . . 0.0 111.051 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.421 ' OG ' ' N ' ' A' ' 42' ' ' GLY . 0.8 OUTLIER -64.56 -60.57 2.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 109.998 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.421 ' N ' ' OG ' ' A' ' 41' ' ' SER . . . -47.65 -37.74 14.17 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 111.039 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.934 HG23 ' O ' ' A' ' 39' ' ' THR . 71.0 t -59.12 -45.11 92.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 109.245 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.689 ' HA ' HD12 ' A' ' 47' ' ' LEU . 49.7 mt -76.3 -26.31 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -65.11 -44.24 89.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.528 ' CG ' HG13 ' A' ' 22' ' ' ILE . 78.7 t90 -62.8 -33.15 74.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 107.985 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.908 HD23 HD12 ' A' ' 52' ' ' LEU . 44.2 mt -63.73 -53.32 52.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 40.5 t -68.56 -44.66 82.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 44.2 p -44.93 -54.22 6.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.426 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 9.4 m-80 -78.81 -20.99 48.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 3.9 mmtt 82.69 60.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.908 HD12 HD23 ' A' ' 47' ' ' LEU . 12.9 mt -92.56 -20.86 20.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.427 ' HB ' ' CB ' ' A' ' 58' ' ' GLU . 29.4 m -130.28 -174.1 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.4 mtt180 -93.24 -24.51 18.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.36 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.436 ' OD1' ' CB ' ' A' ' 57' ' ' GLN . 1.1 p30 -165.05 178.77 6.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -38.53 81.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.436 ' CB ' ' OD1' ' A' ' 55' ' ' ASN . 5.3 tm0? -49.67 -66.61 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.427 ' CB ' ' HB ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -41.8 -50.82 4.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.272 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.416 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -54.98 -51.46 53.51 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.429 HD23 ' HB2' ' A' ' 93' ' ' ASP . 0.5 OUTLIER -45.3 -46.23 12.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.776 . . . . 0.0 109.308 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 18.1 mtm -69.0 -58.14 4.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 65' ' ' SER . 4.8 mm -49.92 -52.51 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.552 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 3.9 m -40.11 -49.41 2.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.035 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -53.94 -46.27 71.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -57.09 -35.86 69.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.97 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.772 HD21 ' CD2' ' A' ' 11' ' ' LEU . 29.1 mt -68.01 -56.52 8.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.609 HD12 ' O ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -55.06 -59.25 5.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -38.69 -65.48 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.927 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -40.29 -37.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 113.52 18.02 7.28 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.599 ' CD1' ' CD2' ' A' ' 12' ' ' TYR . 31.1 m-85 -78.14 -15.88 58.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.766 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.609 ' O ' HD12 ' A' ' 67' ' ' LEU . 16.1 mt -139.69 119.49 13.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -91.33 143.44 28.26 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.62 36.88 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.522 1.801 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.38 114.07 4.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 128.19 -117.55 2.59 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -140.78 -60.32 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 109.321 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.8 mp -41.42 -73.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.589 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 2.6 p -42.16 -51.98 4.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.024 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -51.11 -64.54 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.413 ' O ' ' CB ' ' A' ' 84' ' ' ASP . 0.3 OUTLIER -44.79 -44.44 9.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.838 ' HA ' HD12 ' A' ' 86' ' ' ILE . . . -51.98 -63.54 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -42.9 -40.63 3.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.413 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 6.8 t0 -48.52 -44.77 36.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.466 ' O ' ' HB ' ' A' ' 86' ' ' ILE . . . 164.34 -86.03 0.1 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.838 HD12 ' HA ' ' A' ' 82' ' ' ALA . 9.7 mt 70.37 -53.1 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.774 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -166.51 -132.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.54 15.38 20.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -137.46 107.04 8.49 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.709 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 18.5 Cg_endo -74.89 -44.45 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.468 1.773 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.552 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 2.5 t80 -66.56 145.01 56.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 94' ' ' SER . 51.6 mt -125.42 112.02 15.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.429 ' HB2' HD23 ' A' ' 60' ' ' LEU . 9.4 t70 -67.86 70.22 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -145.89 147.39 32.19 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.972 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -10.21 21.04 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.468 1.773 . . . . 0.0 110.978 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.479 ' O ' ' CZ ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -74.24 -45.79 45.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.31 130.28 42.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.479 ' CZ ' ' O ' ' A' ' 96' ' ' ASP . 12.9 m-85 -118.11 137.48 52.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.077 . . . . 0.0 111.032 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.501 ' CE1' HD13 ' A' ' 67' ' ' LEU . 51.6 m-85 -134.71 150.71 50.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -140.81 152.71 45.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.524 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 32.2 m-85 -71.65 146.11 90.69 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 75.95 3.55 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.539 1.81 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 177.38 -39.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.025 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.458 ' O ' ' C ' ' A' ' 9' ' ' GLY . 46.9 mt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -33.09 -72.6 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.451 1.094 . . . . 0.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.08 -43.49 14.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.884 HD13 ' N ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -60.62 -54.34 46.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.266 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.884 ' N ' HD13 ' A' ' 11' ' ' LEU . 20.4 t80 -52.97 -45.72 67.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.4 mt -50.17 -42.45 51.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -62.27 -57.35 11.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 109.969 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.961 ' SD ' HD12 ' A' ' 22' ' ' ILE . 3.9 mmt -37.55 -40.92 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -52.65 -50.1 63.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.511 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.6 t70 -49.94 119.3 9.93 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -5.8 17.25 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.503 1.791 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -115.94 -53.78 2.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 mttp -93.1 12.72 23.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.511 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -140.43 -155.09 6.42 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.129 . . . . 0.0 111.024 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.961 HD12 ' SD ' ' A' ' 15' ' ' MET . 0.1 OUTLIER -72.34 159.2 5.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 0.766 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.58 -175.99 6.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.641 ' C ' HD22 ' A' ' 25' ' ' LEU . 32.3 mt-10 -149.53 104.0 3.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.642 HD22 ' N ' ' A' ' 25' ' ' LEU . 1.4 mm? -113.42 165.59 12.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -96.23 91.42 5.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.709 HD12 ' HB3' ' A' ' 37' ' ' CYS . 15.7 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.571 ' CE1' ' HB1' ' A' ' 75' ' ' ALA . 19.8 m-85 -91.76 102.18 14.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -75.03 127.02 32.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 76.48 37.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.621 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 1.023 ' O ' HD23 ' A' ' 38' ' ' LEU . 0.8 OUTLIER -102.46 172.26 6.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 108.298 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.023 HD23 ' O ' ' A' ' 37' ' ' CYS . 1.0 OUTLIER -139.37 -154.19 0.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.894 ' O ' HG13 ' A' ' 43' ' ' VAL . 13.2 p -158.23 139.41 13.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.415 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.78 -29.0 32.5 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.8 t -80.63 -43.8 19.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 110.0 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.38 -50.62 20.49 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.894 HG13 ' O ' ' A' ' 39' ' ' THR . 15.1 m -43.24 -55.2 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 0.785 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.568 ' N ' HG23 ' A' ' 43' ' ' VAL . 72.9 mt -57.31 -45.3 85.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -47.15 -40.93 16.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.605 ' CE3' ' SD ' ' A' ' 15' ' ' MET . 79.6 t90 -70.41 -35.88 73.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 108.03 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' A' ' 44' ' ' ILE . 96.2 mt -61.78 -49.84 74.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 51' ' ' LYS . 58.3 t -71.15 -46.2 67.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.19 -49.64 6.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.034 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.466 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 15.2 m-80 -78.49 -24.27 45.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.466 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 8.3 mmtt 86.27 44.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 52' ' ' LEU . 10.2 mt -73.39 -33.52 65.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.4 m -117.93 -172.55 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -100.93 -26.68 13.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.286 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -147.96 172.81 13.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.565 ' HD2' HG22 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -64.15 -42.82 96.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 60' ' ' LEU . 4.3 tt0 -51.17 -64.82 0.69 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 57' ' ' GLN . 1.1 tt0 -38.69 -50.14 1.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.31 -43.08 75.45 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 57' ' ' GLN . 1.2 tm? -53.39 -51.02 63.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 42.6 mtm -60.86 -57.4 12.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.152 . . . . 0.0 111.032 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 50.0 mm -47.59 -49.77 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.577 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 3.1 m -43.52 -54.33 4.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.007 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.89 -45.08 15.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.91 -35.95 73.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.965 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.715 HD21 ' CD1' ' A' ' 11' ' ' LEU . 41.9 mt -70.22 -58.08 4.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.627 HD12 ' O ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -52.99 -58.46 6.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 t -41.11 -64.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.97 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -40.65 -37.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.332 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 112.63 26.5 4.17 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.432 1.082 . . . . 0.0 110.964 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.567 ' CD1' ' CD2' ' A' ' 12' ' ' TYR . 33.4 m-85 -87.87 -15.03 37.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.627 ' O ' HD12 ' A' ' 67' ' ' LEU . 17.0 mt -138.78 118.83 13.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.409 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 30.7 mm-40 -92.01 141.89 25.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.331 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.98 146.31 32.56 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.801 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.571 ' HB1' ' CE1' ' A' ' 34' ' ' PHE . . . -130.29 100.07 5.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 125.53 -163.27 19.56 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.536 1.148 . . . . 0.0 110.994 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.51 -34.54 10.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 0.784 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.37 -61.9 2.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.0 p -55.47 -19.47 9.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.956 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.0 -63.77 1.34 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -41.31 -49.42 3.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 109.258 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.65 ' HB2' HD11 ' A' ' 92' ' ' LEU . . . -52.63 -55.35 23.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.09 49.08 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -134.69 -59.85 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -177.39 34.65 0.08 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.439 HD13 ' HA ' ' A' ' 86' ' ' ILE . 3.2 mm -68.83 -64.17 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.494 0.761 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.434 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -156.22 -142.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.13 -13.97 26.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.276 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -108.52 101.24 42.14 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -20.66 16.62 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.511 1.796 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 1.3 t80 -88.88 142.01 28.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.65 HD11 ' HB2' ' A' ' 82' ' ' ALA . 67.7 mt -120.14 109.03 14.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.42 ' OD1' ' NH1' ' A' ' 56' ' ' ARG . 14.7 t0 -68.69 67.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -141.12 149.05 54.19 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.038 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -9.98 21.08 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.494 1.786 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.572 ' O ' ' CE2' ' A' ' 98' ' ' PHE . 2.5 m-20 -76.71 -48.82 17.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.403 ' O ' ' HA ' ' A' ' 39' ' ' THR . . . -61.53 132.54 53.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.583 ' HD1' HD13 ' A' ' 27' ' ' LEU . 27.4 m-85 -118.38 143.72 46.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.538 ' CE1' HD13 ' A' ' 67' ' ' LEU . 36.8 m-85 -140.8 148.58 40.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -141.8 145.29 34.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 111.045 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.548 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 18.2 m-85 -65.27 143.05 98.69 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 101' ' ' PHE . 18.3 Cg_endo -75.02 76.84 3.29 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.452 1.764 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.9 t70 176.24 -38.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.984 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.459 ' HA ' HD23 ' A' ' 11' ' ' LEU . 66.5 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -36.73 -72.26 0.16 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.24 -46.69 6.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 0.782 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.734 HD21 HD11 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -58.34 -55.51 34.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.583 ' CD2' ' CD1' ' A' ' 71' ' ' TYR . 21.4 t80 -52.72 -45.84 67.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.515 HD23 ' HE3' ' A' ' 16' ' ' LYS . 45.5 mt -52.47 -35.32 52.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.46 -47.98 62.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.995 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.5 mtt -50.63 -20.55 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.515 ' HE3' HD23 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -73.54 -34.76 65.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.425 ' HB3' ' N ' ' A' ' 21' ' ' GLY . 1.6 t70 -61.74 117.96 33.53 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -2.27 12.31 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -121.23 -53.09 2.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 110.309 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.17 22.66 8.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.425 ' N ' ' HB3' ' A' ' 17' ' ' ASP . . . -141.52 -156.27 6.75 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.564 1.165 . . . . 0.0 111.052 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.802 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -69.06 159.14 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.455 0.738 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.471 ' HB3' HD21 ' A' ' 25' ' ' LEU . 1.3 mmtt -82.43 -176.34 6.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.536 ' O ' HD13 ' A' ' 25' ' ' LEU . 31.9 mt-10 -152.45 102.81 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.675 HD22 ' N ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -122.75 161.85 23.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.448 ' OD1' ' ND2' ' A' ' 35' ' ' ASN . 2.5 m-80 -97.83 118.32 34.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.562 HD13 ' CE1' ' A' ' 98' ' ' PHE . 3.9 mt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 33' ' ' VAL . 79.6 t . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -71.19 101.54 2.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.448 ' ND2' ' OD1' ' A' ' 26' ' ' ASN . 8.5 m120 -89.97 157.89 17.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 41.77 50.78 4.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.593 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 99.3 m -123.11 161.14 24.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 108.281 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.724 HD22 ' CG2' ' A' ' 22' ' ' ILE . 0.4 OUTLIER -119.41 -151.56 0.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.526 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.4 t -172.42 148.47 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.532 ' HA2' ' CE1' ' A' ' 91' ' ' PHE . . . -36.6 -54.56 1.36 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 42' ' ' GLY . 3.3 t -59.8 -74.64 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 0.783 . . . . 0.0 109.993 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 41' ' ' SER . . . -35.97 -46.37 0.92 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.105 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.802 ' HA ' HD11 ' A' ' 22' ' ' ILE . 55.7 t -54.69 -64.29 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.91 ' HA ' HD12 ' A' ' 47' ' ' LEU . 48.3 mt -58.06 -38.15 65.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.452 ' O ' ' CB ' ' A' ' 49' ' ' SER . 8.5 t0 -52.79 -41.37 64.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.535 ' CG ' HG13 ' A' ' 22' ' ' ILE . 80.5 t90 -65.36 -39.36 92.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 108.017 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.939 HD23 HD12 ' A' ' 52' ' ' LEU . 23.0 mt -60.73 -59.7 4.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.405 ' O ' ' CE ' ' A' ' 51' ' ' LYS . 73.7 t -62.42 -42.41 95.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 45' ' ' ASP . 3.2 m -48.5 -54.35 14.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -82.43 -16.05 50.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' LEU . 3.1 mmtp 78.84 63.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.939 HD12 HD23 ' A' ' 47' ' ' LEU . 14.2 mt -92.88 -11.26 33.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.415 ' HB ' ' CB ' ' A' ' 58' ' ' GLU . 6.0 m -138.52 -173.27 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -92.43 -24.27 18.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -163.57 172.83 13.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.458 ' HG3' HG21 ' A' ' 44' ' ' ILE . 1.3 tpt180 -54.92 -42.64 72.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.268 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 60' ' ' LEU . 5.8 tm0? -48.89 -65.72 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.415 ' CB ' ' HB ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -40.23 -49.69 2.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.092 . . . . 0.0 110.276 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -55.7 -43.56 86.48 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.5 OUTLIER -52.84 -51.71 59.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 109.302 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.9 mtm -62.75 -52.79 61.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 65' ' ' SER . 7.5 mm -55.31 -52.11 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.561 ' HB3' ' CD2' ' A' ' 91' ' ' PHE . 12.6 m -40.05 -49.1 2.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 110.011 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.24 -48.43 62.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -52.46 -38.9 60.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.048 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.734 HD11 HD21 ' A' ' 11' ' ' LEU . 27.9 mt -69.69 -54.87 11.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.629 HD22 ' O ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -54.19 -59.57 4.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.52 ' N ' HD13 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -39.26 -67.32 0.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 68' ' ' SER . 35.0 mm-40 -38.07 -32.95 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 108.95 2.04 31.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.137 . . . . 0.0 110.95 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.583 ' CD1' ' CD2' ' A' ' 12' ' ' TYR . 27.5 m-85 -58.01 -15.66 9.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 0.788 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.9 mt -134.61 131.43 37.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -102.33 131.85 22.08 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.234 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 144.86 30.72 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.447 1.761 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -132.58 128.8 37.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 114.01 -99.38 0.96 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.432 1.083 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -171.8 -46.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.759 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 81' ' ' ASN . 0.4 OUTLIER -44.84 -87.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.611 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 0.7 OUTLIER -39.36 -31.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.96 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.416 ' N ' ' C ' ' A' ' 78' ' ' LEU . 0.1 OUTLIER -63.48 -54.46 36.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 78' ' ' LEU . 32.8 m-20 -50.39 -23.67 2.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 79' ' ' SER . . . -73.68 -50.92 18.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.6 27.48 2.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -99.4 -20.08 16.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 86' ' ' ILE . . . 152.93 -20.28 0.76 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.483 HD13 ' HA ' ' A' ' 86' ' ' ILE . 3.5 mm -39.38 -58.55 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 0.787 . . . . 0.0 109.261 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 86' ' ' ILE . . . 70.49 -179.06 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.519 ' O ' ' CB ' ' A' ' 89' ' ' ASN . 0.1 OUTLIER 78.37 -8.28 1.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 88' ' ' GLU . 0.8 OUTLIER 154.0 87.45 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.529 ' HA ' ' HB1' ' A' ' 82' ' ' ALA . 18.4 Cg_endo -75.02 -16.75 20.0 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.56 1.821 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.575 ' C ' HD12 ' A' ' 92' ' ' LEU . 4.5 t80 -99.46 127.65 45.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.686 HD12 ' N ' ' A' ' 92' ' ' LEU . 1.3 mp -102.78 116.32 32.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -74.9 59.51 0.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.61 155.0 78.58 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.966 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 0.42 8.91 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.482 1.78 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -87.59 -64.32 1.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -45.63 103.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.562 ' CE1' HD13 ' A' ' 27' ' ' LEU . 24.1 m-85 -101.2 127.53 47.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 79' ' ' SER . 34.1 m-85 -123.28 155.95 36.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -143.92 145.05 32.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.612 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 23.6 m-85 -62.71 148.99 90.27 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 2.19 6.88 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -126.15 26.36 6.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 101' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.02 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.433 HD22 ' CD2' ' A' ' 66' ' ' LEU . 26.4 mt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.484 ' O ' ' CD1' ' A' ' 13' ' ' LEU . . . -35.58 -78.6 0.04 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -41.25 -45.23 2.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 0.751 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.856 ' O ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -57.44 -52.82 63.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.771 ' N ' HD13 ' A' ' 11' ' ' LEU . 25.9 t80 -55.64 -46.53 77.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.484 ' CD1' ' O ' ' A' ' 9' ' ' GLY . 8.0 mp -48.04 -39.07 18.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.17 -53.38 38.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.023 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.511 ' HG2' ' CZ3' ' A' ' 46' ' ' TRP . 14.5 mtp -44.47 -25.35 0.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 110.958 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.76 -47.69 71.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.512 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 2.3 t0 -50.76 115.8 6.24 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -2.37 12.45 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.48 1.779 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -117.37 -54.75 2.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.283 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -94.33 12.41 27.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.512 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -140.36 -155.73 6.64 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.75 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -68.68 157.43 6.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 0.775 . . . . 0.0 109.26 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.41 ' O ' HG23 ' A' ' 22' ' ' ILE . 1.7 mttt -86.98 179.04 6.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -146.67 103.79 3.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.325 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.22 164.56 15.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -101.27 116.72 33.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.4 mt . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -70.51 104.12 2.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -87.52 158.05 19.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 42.73 74.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.617 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.499 ' C ' HD23 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -139.19 168.78 19.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 108.296 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.757 ' O ' HG23 ' A' ' 39' ' ' THR . 2.2 mt -123.21 -153.6 0.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.757 HG23 ' O ' ' A' ' 38' ' ' LEU . 1.6 p -161.66 135.23 6.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 110.46 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -37.23 -48.03 1.5 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.41 -46.89 59.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 0.752 . . . . 0.0 110.003 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.54 -52.38 50.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.75 ' HA ' HD11 ' A' ' 22' ' ' ILE . 76.5 t -43.22 -52.79 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.536 0.786 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.954 ' HA ' HD12 ' A' ' 47' ' ' LEU . 22.9 mt -67.24 -45.6 85.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 49' ' ' SER . 27.3 t0 -40.72 -47.11 2.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.69 ' CZ3' ' CD1' ' A' ' 52' ' ' LEU . 61.6 t90 -60.57 -58.37 8.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.117 . . . . 0.0 108.015 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.954 HD12 ' HA ' ' A' ' 44' ' ' ILE . 4.2 mt -46.18 -44.44 16.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.607 HG21 ' HG2' ' A' ' 56' ' ' ARG . 13.3 t -72.76 -30.76 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 46' ' ' TRP . 0.3 OUTLIER -70.63 -46.75 62.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.005 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.623 ' ND2' ' CD2' ' A' ' 46' ' ' TRP . 6.9 p30 -82.13 -21.77 36.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' LEU . 7.5 mmtt 81.82 36.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.69 ' CD1' ' CZ3' ' A' ' 46' ' ' TRP . 9.3 mt -69.12 -20.03 64.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.43 ' HB ' ' CB ' ' A' ' 58' ' ' GLU . 18.1 m -130.07 -172.68 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.9 mmt-85 -97.38 -26.99 14.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -164.97 159.92 18.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.24 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.607 ' HG2' HG21 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -40.94 -46.39 2.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.1 tm0? -43.92 -63.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.43 ' CB ' ' HB ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -46.28 -49.0 17.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -55.37 -42.31 82.67 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.406 HD23 ' HB2' ' A' ' 93' ' ' ASP . 0.6 OUTLIER -52.95 -50.79 63.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 24.8 mtm -65.2 -51.95 57.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 111.043 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.6 mm -55.33 -43.57 71.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.572 ' HB3' ' CD2' ' A' ' 91' ' ' PHE . 3.7 m -50.05 -51.13 44.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.973 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.97 -46.04 78.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.32 -35.19 67.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.997 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.789 HD21 ' CD1' ' A' ' 11' ' ' LEU . 42.8 mt -72.74 -57.11 4.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.568 HD12 ' O ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -52.63 -55.81 19.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t -39.89 -66.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 109.975 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -41.37 -33.02 0.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 0.0 110.253 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 109.73 21.64 7.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -79.64 -17.59 53.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.568 ' O ' HD12 ' A' ' 67' ' ' LEU . 22.8 mt -132.7 118.83 19.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.519 ' HB2' ' CE2' ' A' ' 100' ' ' TYR . 33.6 mm-40 -92.35 139.82 24.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.36 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -74.97 143.23 28.91 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.448 1.762 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -131.82 105.0 7.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 123.9 -149.69 16.92 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.21 -45.56 3.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.778 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.7 tt -47.3 -71.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.542 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 78.5 p -45.08 -50.42 11.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.031 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -44.43 -59.54 2.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -53.15 -45.1 68.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.682 ' HB1' ' O ' ' A' ' 90' ' ' PRO . . . -49.96 -55.66 13.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.06 54.94 2.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -135.48 -58.9 0.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 176.18 38.23 0.05 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.453 1.096 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.478 HG22 ' N ' ' A' ' 87' ' ' ALA . 4.5 mm -68.05 -68.72 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 0.778 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.478 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -147.25 -145.03 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.301 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.09 9.39 36.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -135.34 110.74 10.65 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.682 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 18.5 Cg_endo -74.96 -31.71 6.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.455 1.766 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 63' ' ' SER . 6.9 t80 -81.8 146.0 30.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.439 ' CD1' ' HB2' ' A' ' 82' ' ' ALA . 60.1 mt -124.61 111.36 15.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.423 ' OD1' ' NH2' ' A' ' 56' ' ' ARG . 24.2 t0 -68.18 70.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -139.19 147.77 54.57 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.014 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -7.13 18.91 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.442 1.759 . . . . 0.0 111.046 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.579 ' O ' ' CE2' ' A' ' 98' ' ' PHE . 5.8 m-20 -82.49 -59.83 2.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -48.49 129.35 16.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.579 ' CE2' ' O ' ' A' ' 96' ' ' ASP . 20.4 m-85 -116.18 146.81 42.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.508 ' CE1' ' HB2' ' A' ' 79' ' ' SER . 62.5 m-85 -148.26 159.92 43.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.519 ' CE2' ' HB2' ' A' ' 73' ' ' GLN . 39.0 p90 -147.99 171.38 15.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 111.051 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.416 ' CE1' HD11 ' A' ' 38' ' ' LEU . 14.0 m-85 -89.92 142.57 29.05 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 71.31 5.08 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.488 1.783 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -177.57 -39.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.968 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.557 HD22 ' CD2' ' A' ' 66' ' ' LEU . 32.8 mt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -34.46 -69.48 0.19 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.36 -41.74 39.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 0.793 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.968 HD13 ' N ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -61.52 -50.03 74.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.968 ' N ' HD13 ' A' ' 11' ' ' LEU . 22.3 t80 -58.12 -48.76 79.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 32.4 mt -45.99 -43.34 14.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -62.26 -59.7 4.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.043 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 8.4 mtt -40.33 -40.1 1.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -45.47 73.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 14' ' ' SER . 0.4 OUTLIER -52.57 119.11 14.56 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.254 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -3.02 13.31 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -121.82 -52.94 1.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -93.27 16.4 13.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.434 ' N ' ' HB3' ' A' ' 17' ' ' ASP . . . -137.35 -152.76 6.2 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.514 1.133 . . . . 0.0 111.027 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.812 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -74.07 157.33 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -74.96 -178.53 3.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -150.55 98.27 2.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.78 165.05 17.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -89.57 131.07 35.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.0 mt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.932 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.6 t . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.541 ' CE1' ' HB1' ' A' ' 75' ' ' ALA . 30.2 m-85 -107.73 101.75 11.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 36' ' ' HIS . 1.6 m-20 -79.38 164.19 24.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 35' ' ' ASN . 80.6 m-70 39.36 64.65 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.605 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.733 ' C ' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -126.0 169.96 12.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.108 . . . . 0.0 108.273 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.755 ' O ' HG23 ' A' ' 39' ' ' THR . 0.8 OUTLIER -127.77 -154.49 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.755 HG23 ' O ' ' A' ' 38' ' ' LEU . 1.4 p -161.63 125.28 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.412 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -46.7 -25.7 2.35 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 t -84.08 -44.37 14.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 0.764 . . . . 0.0 110.008 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.98 -46.46 36.53 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.812 ' HA ' HD11 ' A' ' 22' ' ' ILE . 13.4 m -45.87 -55.32 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.773 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.613 HG22 ' HG2' ' A' ' 56' ' ' ARG . 75.7 mt -55.47 -37.35 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -60.49 -36.23 77.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.535 ' CG ' HG13 ' A' ' 22' ' ' ILE . 83.3 t90 -72.87 -28.61 62.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 107.973 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.479 HD23 HD12 ' A' ' 52' ' ' LEU . 91.9 mt -68.64 -49.05 62.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.0 t -72.46 -37.51 57.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.85 -50.03 61.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.413 ' C ' ' CD ' ' A' ' 51' ' ' LYS . 15.1 m-80 -82.25 -14.36 55.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.413 ' CD ' ' C ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER 76.21 57.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.602 ' CD1' HD23 ' A' ' 11' ' ' LEU . 11.8 mt -88.96 -20.27 24.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 2.4 m -134.39 -173.81 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.5 mtt85 -98.0 -26.93 14.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -149.91 167.49 26.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.613 ' HG2' HG22 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -58.16 -44.5 87.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 110.273 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 60' ' ' LEU . 4.1 tt0 -46.77 -63.44 1.02 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.466 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 1.9 mt-10 -39.33 -48.68 1.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -56.67 -44.52 91.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.571 1.17 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 57' ' ' GLN . 1.2 tm? -51.38 -54.19 29.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.427 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 15.2 mtm -59.7 -56.89 16.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 63' ' ' SER . 32.0 mm -48.05 -55.06 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.582 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 2.7 m -38.1 -53.83 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.952 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 61' ' ' MET . . . -42.91 -53.37 4.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.8 -44.79 59.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.021 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.641 HD11 HD12 ' A' ' 11' ' ' LEU . 2.7 mm? -64.12 -57.07 10.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.577 HD22 ' O ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -50.37 -61.32 2.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.457 ' N ' HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -40.2 -64.71 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.948 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -39.24 -34.04 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.266 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 111.35 -4.12 28.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.445 ' CD1' ' CG ' ' A' ' 12' ' ' TYR . 32.8 m-85 -51.39 -19.98 1.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.3 mt -130.63 123.71 30.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.409 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 76.7 mm-40 -96.36 131.49 28.42 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.99 143.28 28.91 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.532 1.806 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.541 ' HB1' ' CE1' ' A' ' 34' ' ' PHE . . . -132.84 114.78 14.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 126.8 -125.79 5.48 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -140.03 -48.94 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.749 . . . . 0.0 109.268 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.657 ' C ' HD23 ' A' ' 78' ' ' LEU . 4.9 tt -46.04 -70.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.558 ' N ' HD23 ' A' ' 78' ' ' LEU . 6.7 p -48.65 -55.37 11.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.993 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -46.39 -49.54 17.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -64.11 -30.38 71.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 79' ' ' SER . . . -68.86 -25.25 64.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.262 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.13 -24.67 15.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.58 -66.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 171.78 59.91 0.04 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.678 HG22 ' N ' ' A' ' 87' ' ' ALA . 3.7 mm -78.18 -78.75 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.678 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -130.09 -142.44 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.11 -17.54 24.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -109.53 107.6 59.46 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.401 ' HA ' ' O ' ' A' ' 82' ' ' ALA . 18.4 Cg_endo -74.97 -32.5 5.38 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.49 1.784 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 1.3 t80 -78.56 143.88 36.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 94' ' ' SER . 65.5 mt -123.82 109.77 14.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -66.93 71.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -145.67 148.58 37.08 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.025 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 0.78 8.49 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.521 1.8 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.416 ' O ' ' CE1' ' A' ' 98' ' ' PHE . 0.2 OUTLIER -89.23 -52.03 5.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.24 106.15 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.416 ' CE1' ' O ' ' A' ' 96' ' ' ASP . 17.8 m-85 -94.84 148.68 22.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 38' ' ' LEU . 59.8 m-85 -149.56 150.03 31.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -140.4 148.74 41.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 110.972 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.474 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 26.1 m-85 -66.98 151.08 97.49 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 60.84 5.54 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.453 1.765 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -177.57 -39.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 -179.953 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.734 HD22 ' CD2' ' A' ' 66' ' ' LEU . 64.3 mt . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -34.51 -74.38 0.08 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.617 ' HA ' HD12 ' A' ' 13' ' ' LEU . . . -43.51 -43.45 5.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.763 HD11 ' SD ' ' A' ' 15' ' ' MET . 0.8 OUTLIER -61.2 -50.49 72.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 13' ' ' LEU . 54.8 t80 -59.44 -50.61 73.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.617 HD12 ' HA ' ' A' ' 10' ' ' ALA . 59.5 mt -36.26 -40.92 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.464 ' O ' ' HA3' ' A' ' 21' ' ' GLY . 0.4 OUTLIER -73.1 -63.54 1.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.025 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.763 ' SD ' HD11 ' A' ' 11' ' ' LEU . 86.5 mtp -49.45 -23.65 1.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.961 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.415 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -92.1 25.29 2.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.498 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 0.6 OUTLIER -124.15 117.92 26.8 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 1.47 7.71 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.529 1.805 . . . . 0.0 110.962 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -110.52 -54.91 2.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.6 mmtt -115.76 32.92 5.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.498 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -140.72 -163.99 9.74 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.888 ' CG2' HD22 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -60.69 164.2 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.522 0.777 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.477 ' N ' HG23 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -98.57 147.49 24.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -108.48 125.53 51.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 mt -138.23 154.74 49.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -83.1 136.87 34.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.713 HD13 ' CD1' ' A' ' 98' ' ' PHE . 39.9 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -77.23 101.25 6.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -68.33 141.45 55.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 51.3 76.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.623 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.473 ' HB3' HD12 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -130.57 170.93 13.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 108.326 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.888 HD22 ' CG2' ' A' ' 22' ' ' ILE . 1.0 OUTLIER -132.16 -152.31 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.962 ' O ' HG13 ' A' ' 43' ' ' VAL . 1.9 p -160.86 137.51 8.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.44 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.62 -27.64 55.15 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.6 t -81.82 -39.21 24.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 0.0 110.024 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.427 ' O ' ' CB ' ' A' ' 45' ' ' ASP . . . -75.74 -47.36 12.07 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.543 1.152 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.962 HG13 ' O ' ' A' ' 39' ' ' THR . 14.1 m -48.02 -55.34 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.558 0.799 . . . . 0.0 109.254 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.694 ' HA ' HD12 ' A' ' 47' ' ' LEU . 77.4 mt -53.75 -31.56 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 42' ' ' GLY . 3.6 t0 -63.83 -44.96 91.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.59 ' CZ3' ' HG2' ' A' ' 15' ' ' MET . 48.4 t90 -65.19 -29.43 70.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 108.022 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.694 HD12 ' HA ' ' A' ' 44' ' ' ILE . 95.7 mt -67.31 -49.79 62.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.44 HG21 ' HG2' ' A' ' 56' ' ' ARG . 55.6 t -72.56 -43.15 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.05 -50.0 15.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.984 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.446 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 14.0 m-80 -78.36 -22.06 48.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 3.5 mmtt 84.6 53.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.486 HD12 HD23 ' A' ' 47' ' ' LEU . 11.9 mt -85.5 -29.79 23.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.49 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 1.9 m -126.41 -172.89 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -96.97 -26.75 14.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -154.56 154.85 33.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.645 ' HD2' HG22 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -45.4 -45.93 13.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.267 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 60' ' ' LEU . 2.4 tt0 -44.24 -62.8 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 0.0 110.339 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.49 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 1.9 mt-10 -42.0 -47.09 4.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -56.54 -40.59 87.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.44 1.088 . . . . 0.0 111.018 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 57' ' ' GLN . 1.2 tm? -52.44 -56.82 12.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 109.374 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 18.9 mtm -58.25 -55.29 36.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 63' ' ' SER . 38.1 mm -50.47 -54.54 8.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 91' ' ' PHE . 3.6 m -37.75 -56.48 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.012 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -41.88 -51.28 4.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -50.34 -41.19 50.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.025 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.734 ' CD2' HD22 ' A' ' 8' ' ' LEU . 1.0 OUTLIER -67.76 -56.39 9.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.478 HD12 ' O ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -53.08 -56.87 12.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -38.68 -67.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.967 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.559 ' HG3' HD12 ' A' ' 8' ' ' LEU . 52.7 mm-40 -40.68 -37.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 114.57 12.05 10.95 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -67.74 -23.45 65.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 0.773 . . . . 0.0 111.018 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.478 ' O ' HD12 ' A' ' 67' ' ' LEU . 27.3 mt -128.38 116.26 19.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.569 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . 29.3 mm-40 -87.29 139.47 32.1 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -75.02 146.33 32.43 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.486 1.782 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -137.38 101.62 4.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.35 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.77 167.55 36.36 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -54.92 -169.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 0.776 . . . . 0.0 109.282 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.5 ' CD2' HD23 ' A' ' 92' ' ' LEU . 0.7 OUTLIER 70.82 -76.03 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.71 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 23.3 m -62.77 -49.72 73.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.028 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -54.2 48.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.441 ' O ' ' CB ' ' A' ' 84' ' ' ASP . 20.1 m120 -48.73 -29.05 4.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.943 ' HA ' HD12 ' A' ' 86' ' ' ILE . . . -65.17 -62.81 1.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.6 -22.92 3.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.441 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 15.7 t0 -47.54 -65.42 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 157.79 42.45 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.472 1.108 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.943 HD12 ' HA ' ' A' ' 82' ' ' ALA . 13.2 mt -63.8 -79.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.515 0.773 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.611 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -136.08 -142.5 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.87 10.4 41.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.297 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -128.43 86.76 56.95 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.247 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.562 ' HA ' ' HB1' ' A' ' 82' ' ' ALA . 18.3 Cg_endo -74.96 -22.66 14.67 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.5 1.789 . . . . 0.0 110.977 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.618 ' C ' HD12 ' A' ' 92' ' ' LEU . 1.4 t80 -83.8 129.33 34.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.984 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.693 HD12 ' N ' ' A' ' 92' ' ' LEU . 1.3 mp -105.48 109.49 21.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -68.03 69.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -147.1 152.64 43.83 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 0.0 109.975 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.432 ' HA ' ' HB ' ' A' ' 39' ' ' THR . 18.4 Cg_endo -74.98 -10.58 21.32 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.521 1.801 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.484 ' O ' ' CE2' ' A' ' 98' ' ' PHE . 0.7 OUTLIER -75.34 -50.36 16.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.602 ' HB1' ' OG ' ' A' ' 79' ' ' SER . . . -62.02 115.82 4.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.713 ' CD1' HD13 ' A' ' 27' ' ' LEU . 16.9 m-85 -104.08 139.89 38.53 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.513 1.133 . . . . 0.0 110.951 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.556 ' CE1' ' HB3' ' A' ' 79' ' ' SER . 36.7 m-85 -139.35 150.01 44.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.569 ' CE1' ' HB2' ' A' ' 73' ' ' GLN . 37.5 p90 -141.38 153.4 45.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.506 ' CZ ' ' O ' ' A' ' 15' ' ' MET . 32.1 m-85 -75.63 143.7 75.85 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 73.38 4.35 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.486 1.782 . . . . 0.0 111.031 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 163.76 -37.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.972 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.51 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 5.6 mp . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -34.72 -71.73 0.13 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.438 1.087 . . . . 0.0 110.999 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.02 -51.98 7.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.824 ' CD2' HD11 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -54.31 -56.24 20.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.437 ' N ' ' HG ' ' A' ' 11' ' ' LEU . 27.3 t80 -52.58 -49.63 64.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.6 mt -47.06 -37.07 8.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.54 -47.53 54.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.973 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 11.4 mtt -46.97 -28.28 1.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.55 -40.77 93.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.362 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.508 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 0.4 OUTLIER -57.95 111.89 4.11 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -0.92 10.54 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.476 1.777 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -117.71 -54.68 2.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.293 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -96.57 14.66 24.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.508 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -139.0 -154.36 6.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.608 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -71.42 157.14 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.423 ' O ' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -93.34 -172.53 2.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.884 ' C ' HD13 ' A' ' 25' ' ' LEU . 26.5 mt-10 -138.11 105.12 5.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.884 HD13 ' C ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -113.75 146.59 39.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.935 ' C ' HD13 ' A' ' 27' ' ' LEU . 9.9 p30 -94.88 129.93 41.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.358 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.935 HD13 ' C ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.555 HG12 ' OD1' ' A' ' 35' ' ' ASN . 63.8 t . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.557 ' CE1' ' HB1' ' A' ' 75' ' ' ALA . 49.1 m-85 -82.6 102.28 11.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.555 ' OD1' HG12 ' A' ' 33' ' ' VAL . 9.7 m-20 -96.09 156.41 16.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 46.81 39.3 7.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.602 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 59.8 m -113.2 166.61 11.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.422 1.076 . . . . 0.0 108.343 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.603 HD11 ' CE1' ' A' ' 101' ' ' PHE . 0.7 OUTLIER -115.94 -152.93 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.928 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -153.04 147.08 25.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.369 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -48.26 -52.82 17.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.6 t -67.43 -57.2 6.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 0.762 . . . . 0.0 110.005 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -42.48 -49.01 5.81 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.455 1.097 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.928 HG23 ' O ' ' A' ' 39' ' ' THR . 73.7 t -42.84 -43.4 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.742 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.83 HG21 ' HD2' ' A' ' 56' ' ' ARG . 10.7 mt -79.44 -43.8 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 49' ' ' SER . 38.4 t0 -41.09 -47.82 3.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.698 ' CZ3' ' CD1' ' A' ' 52' ' ' LEU . 61.9 t90 -60.44 -57.21 13.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 108.024 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.566 HD23 ' CD1' ' A' ' 52' ' ' LEU . 32.7 mt -47.86 -43.32 28.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 67.4 t -73.58 -28.77 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.357 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 45' ' ' ASP . 0.3 OUTLIER -73.18 -45.16 58.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.984 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.616 ' ND2' ' CD2' ' A' ' 46' ' ' TRP . 7.6 p30 -84.17 -21.1 31.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' LEU . 3.2 mmtp 81.21 37.5 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.698 ' CD1' ' CZ3' ' A' ' 46' ' ' TRP . 9.5 mt -71.63 -10.89 60.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.512 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 3.8 m -137.39 -171.79 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.5 mtt180 -95.14 -25.82 16.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -167.43 -175.95 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.83 ' HD2' HG21 ' A' ' 44' ' ' ILE . 0.7 OUTLIER -61.3 -38.4 86.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 60' ' ' LEU . 1.2 tm0? -48.41 -66.88 0.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.512 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 6.1 mt-10 -40.45 -51.23 2.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.113 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.748 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -51.47 -39.31 44.42 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.7 OUTLIER -60.57 -48.46 81.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 0.792 . . . . 0.0 109.319 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 34.7 mtm -70.54 -45.99 64.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 65' ' ' SER . 5.0 mm -62.78 -55.07 26.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.566 ' HB3' ' CD2' ' A' ' 91' ' ' PHE . 5.7 m -37.81 -45.05 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.466 ' HB1' ' HD2' ' A' ' 90' ' ' PRO . . . -56.23 -51.75 66.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -51.68 -42.27 62.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.019 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.824 HD11 ' CD2' ' A' ' 11' ' ' LEU . 1.7 mm? -62.59 -56.48 17.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.716 HD12 ' O ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -56.33 -57.65 11.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -37.93 -68.22 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.442 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 33.1 mm-40 -40.94 -39.47 1.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 114.86 26.81 3.45 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.51 ' CE2' ' HB3' ' A' ' 8' ' ' LEU . 27.4 m-85 -87.67 -9.73 53.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 0.737 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.716 ' O ' HD12 ' A' ' 67' ' ' LEU . 14.2 mt -141.94 117.64 10.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.509 ' CB ' ' CZ ' ' A' ' 100' ' ' TYR . 55.7 mm-40 -92.25 136.45 25.7 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -75.05 142.4 27.64 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.473 1.775 . . . . 0.0 110.996 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.557 ' HB1' ' CE1' ' A' ' 34' ' ' PHE . . . -144.4 110.32 5.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 140.61 -102.38 0.32 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.442 1.089 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -166.36 -50.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.4 mp -44.67 -72.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 80.5 p -48.31 -47.04 36.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.945 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -52.21 -44.98 65.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.49 ' O ' ' CB ' ' A' ' 84' ' ' ASP . 1.3 t-20 -58.6 -51.77 68.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.667 ' HB2' HD11 ' A' ' 92' ' ' LEU . . . -56.85 -51.62 68.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.32 -24.31 64.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 3.7 t0 -55.74 -63.53 1.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 169.04 47.29 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.466 1.104 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.702 HG22 ' N ' ' A' ' 87' ' ' ALA . 3.3 mm -67.97 -78.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.702 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -135.93 -143.53 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -88.8 -15.28 35.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.57 103.49 46.64 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.466 ' HD2' ' HB1' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.03 -26.84 10.49 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.49 1.784 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.566 ' CD2' ' HB3' ' A' ' 63' ' ' SER . 3.9 t80 -81.14 149.21 29.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.667 HD11 ' HB2' ' A' ' 82' ' ' ALA . 36.4 mt -126.03 114.09 17.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.45 ' OD1' ' NH2' ' A' ' 56' ' ' ARG . 4.8 t0 -72.65 69.56 0.89 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.95 149.06 67.43 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.001 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -8.47 20.09 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.788 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.594 ' O ' ' CE2' ' A' ' 98' ' ' PHE . 59.7 m-20 -83.41 -54.63 4.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -46.97 131.97 11.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' A' ' 96' ' ' ASP . 78.9 m-85 -120.79 136.0 55.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.403 ' HA ' ' O ' ' A' ' 73' ' ' GLN . 93.8 m-85 -134.14 163.81 28.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.509 ' CZ ' ' CB ' ' A' ' 73' ' ' GLN . 47.4 p90 -158.16 154.9 28.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 111.023 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.603 ' CE1' HD11 ' A' ' 38' ' ' LEU . 12.9 m-85 -76.58 140.87 68.49 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 78.05 2.98 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.507 1.793 . . . . 0.0 110.964 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.7 t70 174.91 -37.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.971 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.513 ' O ' ' C ' ' A' ' 9' ' ' GLY . 6.0 mp . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.513 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -28.07 -70.87 0.05 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -48.82 -51.84 27.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 0.765 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.006 ' CD1' HD11 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -54.89 -54.25 44.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.886 ' N ' HD13 ' A' ' 11' ' ' LEU . 35.3 t80 -53.42 -51.89 61.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.539 HD23 ' HE3' ' A' ' 16' ' ' LYS . 24.8 mt -42.99 -38.25 2.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.35 -51.47 44.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.046 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.501 ' HG2' ' CZ3' ' A' ' 46' ' ' TRP . 11.5 mtp -46.94 -24.0 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.539 ' HE3' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -67.09 -45.15 78.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.505 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 2.0 t70 -52.87 116.11 8.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -1.99 11.95 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.534 1.807 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -118.1 -54.56 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -96.0 15.4 20.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.505 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -139.56 -155.07 6.5 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.706 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -68.49 163.65 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 109.311 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.461 ' N ' HG23 ' A' ' 22' ' ' ILE . 0.9 OUTLIER -95.65 -172.21 2.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -151.67 96.71 2.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.566 HD22 ' N ' ' A' ' 25' ' ' LEU . 2.3 mm? -100.17 165.27 11.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -100.68 99.45 10.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.633 HD11 HG23 ' A' ' 39' ' ' THR . 10.7 mt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 1.5 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -92.95 101.6 13.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -77.68 147.72 35.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 54.83 62.72 2.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.621 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.641 ' O ' HD23 ' A' ' 38' ' ' LEU . 96.3 m -138.96 176.51 8.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 108.346 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.698 HD11 ' CE1' ' A' ' 101' ' ' PHE . 0.2 OUTLIER -132.99 -154.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.633 HG23 HD11 ' A' ' 27' ' ' LEU . 1.8 p -158.11 135.82 10.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.421 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.42 ' HA2' ' CE1' ' A' ' 91' ' ' PHE . . . -39.85 -45.12 2.82 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.1 t -72.4 -43.44 63.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 109.996 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.51 -50.24 66.29 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.706 ' HA ' HD11 ' A' ' 22' ' ' ILE . 78.0 t -43.33 -46.31 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 0.789 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.951 ' HA ' HD12 ' A' ' 47' ' ' LEU . 21.2 mt -71.83 -41.26 69.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.583 1.177 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 49' ' ' SER . 54.8 t0 -45.01 -46.38 11.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.627 ' CD2' ' ND2' ' A' ' 50' ' ' ASN . 61.7 t90 -59.58 -57.45 12.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 107.966 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.951 HD12 ' HA ' ' A' ' 44' ' ' ILE . 4.1 mt -45.2 -45.09 11.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.811 HG21 ' HG2' ' A' ' 56' ' ' ARG . 25.0 t -73.41 -31.27 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -69.09 -44.55 72.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.627 ' ND2' ' CD2' ' A' ' 46' ' ' TRP . 6.0 p30 -84.28 -21.76 30.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 4.5 mmtt 82.89 35.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.59 ' CD1' ' CZ3' ' A' ' 46' ' ' TRP . 9.7 mt -69.51 -18.38 63.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.429 ' HB ' ' CB ' ' A' ' 58' ' ' GLU . 27.7 m -131.58 -172.21 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -99.52 -26.65 14.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 110.311 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -160.93 153.58 20.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.811 ' HG2' HG21 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -39.01 -41.34 0.76 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.274 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 60' ' ' LEU . 5.0 tm0? -48.01 -67.41 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 110.295 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.429 ' CB ' ' HB ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -39.63 -50.61 2.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.505 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -53.92 -41.45 67.74 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.471 1.107 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.7 OUTLIER -54.04 -54.75 34.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 35.9 mtm -58.51 -50.58 73.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.4 ' O ' HD23 ' A' ' 66' ' ' LEU . 24.5 mm -58.03 -50.48 77.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.571 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . 21.9 m -40.51 -50.11 2.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.77 -54.7 17.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.162 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.45 -45.0 25.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.01 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 1.006 HD11 ' CD1' ' A' ' 11' ' ' LEU . 2.1 mm? -59.7 -55.03 39.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.846 HD12 ' O ' ' A' ' 72' ' ' LEU . 4.0 tp -56.96 -56.3 23.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.36 -62.27 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.969 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -45.94 -40.94 10.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 116.83 32.84 1.49 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.678 ' CE1' ' CD2' ' A' ' 12' ' ' TYR . 29.6 m-85 -90.9 -27.61 18.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 110.95 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.846 ' O ' HD12 ' A' ' 67' ' ' LEU . 3.0 mm? -116.59 120.58 39.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.534 ' CB ' ' CE1' ' A' ' 100' ' ' TYR . 40.0 mm-40 -97.42 133.36 23.88 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -75.07 136.08 19.78 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -129.95 119.38 23.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 121.46 -86.82 0.4 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.536 1.147 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 170.28 -43.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.586 ' C ' HD23 ' A' ' 78' ' ' LEU . 6.3 tt -40.95 -76.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.708 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 73.7 m -55.87 -44.78 78.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.41 -55.3 5.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.467 ' O ' ' CB ' ' A' ' 84' ' ' ASP . 2.0 m-80 -45.17 -34.63 2.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 79' ' ' SER . . . -57.92 -68.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -42.68 -30.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.467 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 3.0 t70 -54.83 -62.27 1.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 163.9 60.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.519 1.137 . . . . 0.0 110.97 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.677 HG22 ' N ' ' A' ' 87' ' ' ALA . 3.3 mm -76.17 -78.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.677 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -135.53 -144.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.18 6.34 48.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -134.76 105.48 10.7 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.473 ' HB2' ' CD2' ' A' ' 67' ' ' LEU . 18.4 Cg_endo -74.96 -25.89 11.51 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.465 1.771 . . . . 0.0 111.0 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.633 ' C ' HD12 ' A' ' 92' ' ' LEU . 2.5 t80 -86.23 129.66 34.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.69 HD12 ' N ' ' A' ' 92' ' ' LEU . 1.2 mp -105.64 113.6 27.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -72.4 63.78 0.57 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.25 148.71 60.74 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.001 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -10.1 21.04 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.506 1.792 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.583 ' O ' ' CE1' ' A' ' 98' ' ' PHE . 2.8 m-20 -77.86 -31.3 51.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.245 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.569 ' HB1' ' OG ' ' A' ' 79' ' ' SER . . . -73.66 133.69 43.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.583 ' CE1' ' O ' ' A' ' 96' ' ' ASP . 5.6 m-30 -120.35 124.14 44.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -126.83 145.71 50.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.534 ' CE1' ' CB ' ' A' ' 73' ' ' GLN . 22.9 p90 -139.87 147.65 40.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.698 ' CE1' HD11 ' A' ' 38' ' ' LEU . 13.9 m-85 -68.56 136.81 90.63 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 73.65 4.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 30.1 t0 179.97 -37.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.018 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 9' ' ' GLY . 25.7 mt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -36.19 -72.83 0.13 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -42.64 -48.07 5.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 109.317 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.535 ' C ' HD12 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -57.36 -56.31 23.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.598 ' CD2' ' CD1' ' A' ' 71' ' ' TYR . 26.5 t80 -51.93 -47.81 64.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.7 mt -49.89 -40.2 42.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.5 OUTLIER -65.65 -48.58 71.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.95 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.0 mtp -46.71 -24.61 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.0 -39.69 75.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.524 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 0.4 OUTLIER -57.52 112.17 4.37 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -0.8 10.41 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.547 1.814 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -117.04 -54.89 2.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -97.94 15.86 22.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.524 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -141.43 -156.07 6.69 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.554 1.159 . . . . 0.0 111.012 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.655 HD13 HD13 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -69.47 167.46 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.257 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.527 ' N ' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -107.28 -169.91 1.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -141.88 129.94 22.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.316 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mt -139.15 164.72 29.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -90.52 149.23 22.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.475 HD11 HG23 ' A' ' 39' ' ' THR . 23.6 mt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -87.48 102.38 14.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -76.53 147.78 37.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 55.84 72.25 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.607 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.681 ' C ' HD23 ' A' ' 38' ' ' LEU . 4.4 t -142.33 166.66 24.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 108.333 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.687 ' O ' HG23 ' A' ' 39' ' ' THR . 0.5 OUTLIER -115.61 -151.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.687 HG23 ' O ' ' A' ' 38' ' ' LEU . 1.8 p -159.38 130.15 5.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.402 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 39' ' ' THR . . . -37.07 -40.79 0.58 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.2 -44.27 26.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 39' ' ' THR . . . -60.8 -42.41 99.5 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.57 ' HA ' HD11 ' A' ' 22' ' ' ILE . 77.4 t -48.46 -45.37 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.462 0.743 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.932 ' HA ' HD12 ' A' ' 47' ' ' LEU . 9.2 mt -74.38 -41.03 50.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 49' ' ' SER . 19.2 t0 -42.72 -48.07 5.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.684 ' CZ3' ' CD1' ' A' ' 52' ' ' LEU . 62.0 t90 -60.2 -58.36 8.83 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.932 HD12 ' HA ' ' A' ' 44' ' ' ILE . 4.0 mt -45.64 -48.62 14.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.611 HG21 ' HG2' ' A' ' 56' ' ' ARG . 8.2 t -68.3 -34.27 65.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 45' ' ' ASP . 0.4 OUTLIER -66.76 -47.46 72.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.541 1.15 . . . . 0.0 110.038 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.613 ' ND2' ' CD2' ' A' ' 46' ' ' TRP . 7.2 p30 -81.8 -17.01 49.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 47' ' ' LEU . 2.9 mmtp 76.87 35.31 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.758 HD13 HD23 ' A' ' 47' ' ' LEU . 6.7 mt -64.45 -21.25 66.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.506 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 4.7 m -129.12 -173.57 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -89.72 -27.6 19.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.476 ' OD1' ' CB ' ' A' ' 57' ' ' GLN . 0.9 OUTLIER -163.11 -178.35 5.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.783 ' HD2' HG21 ' A' ' 44' ' ' ILE . 1.2 mmm-85 -61.45 -38.71 88.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.476 ' CB ' ' OD1' ' A' ' 55' ' ' ASN . 2.5 tm0? -47.75 -65.18 0.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 110.274 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.506 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 3.9 mt-10 -41.0 -49.93 3.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.717 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -53.84 -38.02 58.86 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.4 OUTLIER -59.46 -52.14 66.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 0.731 . . . . 0.0 109.288 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 18.9 mtm -66.73 -48.45 69.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 65' ' ' SER . 4.1 mm -59.96 -53.02 54.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.545 ' HB3' ' CD1' ' A' ' 91' ' ' PHE . 14.3 m -38.95 -42.85 0.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.019 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.07 -50.9 71.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -52.25 -37.49 55.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.482 ' HB3' ' CD2' ' A' ' 72' ' ' LEU . 44.2 mt -67.92 -55.91 11.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.592 HD22 ' O ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -56.72 -60.32 3.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.528 ' N ' HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -37.74 -64.78 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.008 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -40.98 -40.22 1.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 114.05 25.17 4.26 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.544 1.152 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.598 ' CD1' ' CD2' ' A' ' 12' ' ' TYR . 30.5 m-85 -82.83 -23.3 33.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.504 ' O ' HD23 ' A' ' 67' ' ' LEU . 2.6 mm? -119.01 124.82 47.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.506 ' HB2' ' CZ ' ' A' ' 100' ' ' TYR . 26.8 mm-40 -96.54 124.24 51.51 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 110.239 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 132.76 15.74 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.553 1.818 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -133.3 123.87 26.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 128.12 -111.63 1.32 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -154.69 -52.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 0.787 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.47 -71.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.479 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -39.79 -41.31 1.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.012 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -56.12 -62.08 1.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -43.34 -49.06 6.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.653 ' HB1' ' O ' ' A' ' 90' ' ' PRO . . . -46.54 -53.69 10.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.31 58.02 2.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -143.01 -60.66 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -178.7 36.03 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.521 1.138 . . . . 0.0 110.954 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.557 HG22 ' N ' ' A' ' 87' ' ' ALA . 5.4 mm -69.63 -73.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 0.75 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.557 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -147.17 -145.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.01 7.59 41.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -129.61 104.66 17.38 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.653 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 18.3 Cg_endo -74.96 -25.69 11.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 111.006 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.545 ' CD1' ' HB3' ' A' ' 63' ' ' SER . 1.9 t80 -92.51 140.25 29.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.476 ' CD1' ' HB2' ' A' ' 82' ' ' ALA . 43.7 mt -118.65 115.0 23.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 6.4 t0 -70.19 67.06 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -141.16 149.04 54.03 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.027 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -3.51 14.03 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.469 1.773 . . . . 0.0 111.027 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.423 ' O ' ' CE1' ' A' ' 98' ' ' PHE . 0.4 OUTLIER -82.65 -41.32 19.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.61 119.67 12.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.423 ' CE1' ' O ' ' A' ' 96' ' ' ASP . 10.3 m-85 -106.44 138.34 42.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -140.3 145.47 37.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.506 ' CZ ' ' HB2' ' A' ' 73' ' ' GLN . 41.5 p90 -139.55 143.02 37.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.572 ' CE1' HD11 ' A' ' 38' ' ' LEU . 16.4 m-85 -61.44 134.13 93.4 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 111.049 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 72.94 4.47 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.0 t70 174.58 -36.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.3 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -45.36 -68.55 0.95 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.62 ' HA ' HD12 ' A' ' 13' ' ' LEU . . . -44.93 -51.01 10.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 0.0 109.296 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.78 ' C ' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -54.94 -56.57 18.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -51.75 -39.37 58.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.978 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.62 HD12 ' HA ' ' A' ' 10' ' ' ALA . 60.9 mt -58.27 -47.44 83.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.25 -48.47 81.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.029 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 11.5 mtt -45.32 -37.8 5.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.979 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.82 -46.73 71.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.522 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.8 t0 -52.51 110.89 2.15 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.412 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 18.4 Cg_endo -74.94 -0.46 9.97 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.44 1.758 . . . . 0.0 111.043 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -117.26 -55.44 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 110.282 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -94.79 10.37 35.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.522 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -135.95 -154.19 6.83 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.782 HD13 HD13 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -68.75 162.91 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.55 0.794 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.446 ' N ' HG23 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -87.82 -176.1 5.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -150.0 89.86 1.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.534 HD22 ' N ' ' A' ' 25' ' ' LEU . 2.5 mm? -105.28 165.61 10.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -111.28 110.17 20.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.8 t . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -77.31 101.32 6.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -86.15 146.97 26.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 46.52 77.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.554 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.705 ' C ' HD23 ' A' ' 38' ' ' LEU . 85.6 m -145.53 175.12 10.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 108.275 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.782 HD13 HD13 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -130.03 -157.18 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.698 HG23 ' O ' ' A' ' 38' ' ' LEU . 2.0 p -159.77 139.72 11.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.385 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.426 ' HA2' ' CE2' ' A' ' 91' ' ' PHE . . . -37.9 -43.9 1.35 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.0 t -68.99 -44.99 71.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 110.026 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 39' ' ' THR . . . -65.59 -44.55 92.55 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.549 1.156 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.642 ' HA ' HD11 ' A' ' 22' ' ' ILE . 96.2 t -47.18 -48.43 8.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.493 0.76 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.769 HG21 ' HD2' ' A' ' 56' ' ' ARG . 11.3 mt -74.48 -44.25 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -40.87 -46.71 2.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.643 ' CZ3' ' CD1' ' A' ' 52' ' ' LEU . 60.0 t90 -60.73 -56.77 17.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 107.967 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.462 HD23 ' CD1' ' A' ' 52' ' ' LEU . 49.5 mt -46.08 -46.35 16.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.254 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.448 HG21 ' HG2' ' A' ' 56' ' ' ARG . 24.9 t -71.0 -32.26 47.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 46' ' ' TRP . 0.2 OUTLIER -68.5 -46.54 69.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.975 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.622 ' ND2' ' CD2' ' A' ' 46' ' ' TRP . 6.9 p30 -83.0 -20.04 35.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 47' ' ' LEU . 3.9 mmtp 80.01 36.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.643 ' CD1' ' CZ3' ' A' ' 46' ' ' TRP . 8.2 mt -69.23 -10.73 59.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.531 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 2.4 m -139.65 -171.43 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.1 mtt180 -95.96 -26.08 15.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.339 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -161.85 -177.93 6.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.769 ' HD2' HG21 ' A' ' 44' ' ' ILE . 0.6 OUTLIER -61.7 -39.37 91.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.416 ' O ' ' HB3' ' A' ' 60' ' ' LEU . 4.0 tm0? -49.33 -70.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.531 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 2.9 mt-10 -38.14 -48.84 1.29 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 110.239 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.597 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -53.25 -47.87 60.61 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.416 ' HB3' ' O ' ' A' ' 57' ' ' GLN . 2.8 tp -50.54 -65.55 0.54 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.406 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 23.2 mtm -47.13 -52.2 16.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 65' ' ' SER . 10.0 mm -56.31 -57.95 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.558 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 4.4 m -36.59 -49.16 0.74 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.996 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 61' ' ' MET . . . -50.6 -52.05 42.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -51.05 -43.09 60.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.952 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.563 HD11 ' CD2' ' A' ' 11' ' ' LEU . 2.6 mm? -61.89 -55.89 24.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.536 HD12 ' O ' ' A' ' 72' ' ' LEU . 2.7 tp -56.14 -56.67 18.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -37.92 -67.67 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.003 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -41.03 -39.95 1.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 114.86 26.61 3.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.577 1.173 . . . . 0.0 110.952 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.424 ' O ' HD13 ' A' ' 72' ' ' LEU . 25.7 m-85 -81.96 -25.47 34.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 0.74 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.536 ' O ' HD12 ' A' ' 67' ' ' LEU . 2.4 mm? -118.43 127.39 53.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -100.36 128.28 30.81 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 138.35 22.88 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.483 1.781 . . . . 0.0 111.031 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -137.69 122.46 18.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 134.49 -91.76 0.24 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 178.11 -37.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 0.774 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.629 HD21 HD22 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -61.19 -79.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.768 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 15.2 p -39.84 -37.03 0.5 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 110.001 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -56.88 -53.49 57.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 78' ' ' LEU . 16.0 m-80 -54.08 -25.54 22.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.236 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.768 ' HB3' ' O ' ' A' ' 79' ' ' SER . . . -64.06 -68.46 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -50.59 -24.67 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -55.51 -62.67 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 162.29 53.97 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.46 1.1 . . . . 0.0 110.955 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.677 HG22 ' N ' ' A' ' 87' ' ' ALA . 3.5 mm -73.52 -78.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.677 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -131.94 -143.84 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -91.58 -17.49 25.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 110.278 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -111.03 105.5 57.14 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.409 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 18.3 Cg_endo -74.96 -22.56 14.77 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.493 1.786 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.644 ' C ' HD12 ' A' ' 92' ' ' LEU . 1.9 t80 -86.25 131.43 34.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.705 HD12 ' N ' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -104.89 107.43 18.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.331 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -68.78 67.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -144.42 151.91 52.16 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -2.2 12.22 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.528 1.804 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.56 ' O ' ' CE2' ' A' ' 98' ' ' PHE . 0.3 OUTLIER -83.53 -52.49 6.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.401 ' O ' ' HA ' ' A' ' 39' ' ' THR . . . -59.9 119.33 7.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.56 ' CE2' ' O ' ' A' ' 96' ' ' ASP . 8.9 m-85 -105.67 132.09 52.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.951 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.432 ' CE1' HD13 ' A' ' 67' ' ' LEU . 26.8 m-85 -131.54 146.5 52.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 35.2 p90 -145.96 147.44 31.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.535 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 8.5 m-85 -64.74 139.35 97.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 64.59 6.03 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.534 1.807 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -167.61 -43.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.446 ' CD2' ' HG3' ' A' ' 69' ' ' GLU . 5.8 mp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -33.49 -72.05 0.1 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -42.94 -54.76 4.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 0.785 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.666 ' C ' HD12 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -52.98 -58.12 8.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.49 ' CG ' ' CD1' ' A' ' 71' ' ' TYR . 34.9 t80 -50.29 -47.85 55.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.1 mt -49.42 -38.89 30.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.6 OUTLIER -66.57 -52.65 43.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.992 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 101' ' ' PHE . 19.6 mtt -42.85 -33.12 0.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -61.1 -43.38 98.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 14' ' ' SER . 0.7 OUTLIER -55.3 118.13 17.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -2.7 12.89 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.48 1.779 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -121.7 -52.6 2.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -94.34 18.11 11.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.428 ' N ' ' HB3' ' A' ' 17' ' ' ASP . . . -138.28 -152.64 6.05 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.537 1.148 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.762 ' CG2' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -77.6 159.25 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 0.742 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.2 -174.97 4.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -153.14 101.65 2.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.332 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.94 170.03 8.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -109.01 111.22 22.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.2 t . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -71.38 102.13 2.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -86.62 164.56 16.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 42.43 53.95 4.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.553 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -116.32 166.15 12.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.167 . . . . 0.0 108.317 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.762 HD22 ' CG2' ' A' ' 22' ' ' ILE . 0.5 OUTLIER -127.96 -155.51 0.7 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.953 ' O ' HG13 ' A' ' 43' ' ' VAL . 2.5 p -159.12 135.93 9.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.416 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.402 ' C ' HG22 ' A' ' 43' ' ' VAL . . . -56.64 -26.34 52.84 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.539 1.15 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.44 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 31.3 t -83.92 -41.44 17.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 0.762 . . . . 0.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.47 -43.91 43.35 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.109 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.953 HG13 ' O ' ' A' ' 39' ' ' THR . 17.4 m -51.23 -55.35 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.762 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.687 HG22 ' HD2' ' A' ' 56' ' ' ARG . 78.5 mt -54.89 -37.81 42.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -60.33 -39.79 88.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.52 ' CG ' HG13 ' A' ' 22' ' ' ILE . 79.4 t90 -68.03 -38.35 82.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 107.973 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 51.6 mt -55.98 -37.68 69.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 43.3 t -85.64 -40.65 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.361 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.64 -47.48 40.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.986 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.458 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 4.7 m120 -81.32 -22.55 38.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 10.2 mmtt 84.43 65.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.365 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.485 ' HA ' HD23 ' A' ' 52' ' ' LEU . 12.9 mt -103.66 -25.96 12.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.443 ' HB ' ' CB ' ' A' ' 58' ' ' GLU . 16.5 m -128.0 179.76 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -84.97 -30.33 24.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -160.92 161.37 31.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.687 ' HD2' HG22 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -42.75 -47.61 5.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.309 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.76 -63.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.445 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -45.4 -48.61 13.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.365 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.409 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -52.33 -41.22 54.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.109 . . . . 0.0 110.978 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.411 HD23 HD11 ' A' ' 44' ' ' ILE . 1.1 tm? -55.03 -57.07 13.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.771 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 32.6 mtm -56.03 -48.74 75.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 65' ' ' SER . 25.8 mm -60.35 -50.99 78.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.566 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 64.9 m -40.02 -52.24 2.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.99 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.494 ' HB1' ' HD2' ' A' ' 90' ' ' PRO . . . -45.22 -48.84 12.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -52.11 -41.38 62.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.027 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.592 HD11 ' CD2' ' A' ' 11' ' ' LEU . 1.2 mm? -64.53 -57.08 10.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.613 HD22 ' O ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -55.42 -61.07 2.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.481 ' N ' HD13 ' A' ' 67' ' ' LEU . 1.7 t -38.0 -62.88 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.049 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.446 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 21.6 mm-40 -44.01 -40.34 4.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.301 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 114.64 31.68 2.09 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.645 ' C ' HD22 ' A' ' 72' ' ' LEU . 33.6 m-85 -90.24 -17.51 27.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.751 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.645 HD22 ' C ' ' A' ' 71' ' ' TYR . 2.7 mm? -126.22 124.92 41.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.45 ' CB ' ' CZ ' ' A' ' 100' ' ' TYR . 34.9 mm-40 -94.03 126.07 50.38 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 120.37 6.02 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.547 1.814 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.437 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -112.5 143.49 43.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 98.82 -124.9 8.37 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -139.34 -48.13 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 0.73 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 81' ' ' ASN . 0.6 OUTLIER -49.01 -75.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.517 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 36.8 m -41.91 -39.45 1.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.978 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -59.3 -47.62 84.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 78' ' ' LEU . 51.3 m-20 -60.42 -36.28 77.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.699 ' HB1' ' O ' ' A' ' 90' ' ' PRO . . . -53.71 -59.24 4.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.25 43.91 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -111.29 -65.15 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -158.88 25.41 0.36 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.131 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.67 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 5.8 mm -63.53 -66.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.502 0.766 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 86' ' ' ILE . . . 83.79 160.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.538 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 2.4 tt0 74.43 -10.38 1.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 88' ' ' GLU . 0.6 OUTLIER 157.5 107.17 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.699 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 18.4 Cg_endo -75.05 -29.68 7.89 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.491 1.785 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 1.3 t80 -76.62 149.42 36.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.622 ' CD1' ' HB2' ' A' ' 82' ' ' ALA . 56.9 mt -126.53 107.16 9.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -68.04 69.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -139.55 147.84 53.79 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -5.23 16.53 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.792 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.47 ' O ' ' CE2' ' A' ' 98' ' ' PHE . 0.7 OUTLIER -84.32 -50.61 7.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.34 117.35 5.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.47 ' CE2' ' O ' ' A' ' 96' ' ' ASP . 31.6 m-85 -105.5 129.0 53.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -126.83 134.57 50.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.45 ' CZ ' ' CB ' ' A' ' 73' ' ' GLN . 36.8 p90 -127.29 141.09 51.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.462 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 18.1 m-85 -58.43 146.26 72.88 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 101' ' ' PHE . 18.4 Cg_endo -75.03 62.43 5.88 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -176.96 -39.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.578 1.174 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.5 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.941 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.517 ' O ' ' C ' ' A' ' 9' ' ' GLY . 5.9 mp . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.517 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -28.21 -68.91 0.07 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.14 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.81 -60.25 3.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.905 HD13 ' N ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -47.56 -55.6 8.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.905 ' N ' HD13 ' A' ' 11' ' ' LEU . 40.9 t80 -51.64 -52.83 44.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.555 HD23 ' HE3' ' A' ' 16' ' ' LYS . 20.6 mt -42.87 -38.0 2.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.4 ' C ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -68.68 -53.62 21.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.6 mtt -43.84 -25.84 0.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.555 ' HE3' HD23 ' A' ' 13' ' ' LEU . 2.1 mtmp? -66.36 -48.33 70.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.517 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 2.7 t70 -48.64 115.26 4.23 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.85 10.47 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.772 . . . . 0.0 110.973 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -118.23 -54.68 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.345 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -97.0 14.48 25.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.517 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -139.02 -156.74 7.09 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.436 1.085 . . . . 0.0 111.047 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.878 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -74.34 150.47 7.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.523 0.778 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.427 ' HD3' ' N ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -88.7 -174.09 4.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -141.2 85.06 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.328 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.634 HD22 ' N ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -85.75 150.83 24.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -85.61 132.6 34.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.534 HD13 ' CD1' ' A' ' 98' ' ' PHE . 3.1 mt . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 33' ' ' VAL . 52.3 t . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -72.96 102.01 3.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.69 150.18 20.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 11.6 m170 65.74 57.05 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.603 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 95.6 m -133.41 159.19 41.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 108.324 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.727 ' O ' HG23 ' A' ' 39' ' ' THR . 5.5 mt -116.57 -150.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.737 ' O ' HG13 ' A' ' 43' ' ' VAL . 1.7 p -160.52 127.89 4.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.387 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.411 ' C ' HG22 ' A' ' 43' ' ' VAL . . . -48.23 -26.04 4.52 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.528 1.142 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.457 ' O ' ' NH2' ' A' ' 56' ' ' ARG . 2.3 t -84.42 -43.68 14.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 0.789 . . . . 0.0 110.043 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.68 -43.26 60.45 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.878 ' HA ' HD11 ' A' ' 22' ' ' ILE . 16.2 m -51.46 -54.99 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 0.0 109.347 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.716 ' HA ' HD12 ' A' ' 47' ' ' LEU . 74.6 mt -55.17 -49.44 72.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -46.0 -40.46 10.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.517 ' CG ' HG13 ' A' ' 22' ' ' ILE . 82.4 t90 -67.32 -42.39 83.69 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.716 HD12 ' HA ' ' A' ' 44' ' ' ILE . 72.2 mt -53.1 -49.41 66.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 51' ' ' LYS . 46.9 t -70.33 -48.67 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.09 -50.51 4.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.474 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 4.8 m120 -78.29 -25.46 46.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 7.5 mmtt 86.22 49.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.544 HD11 HD23 ' A' ' 11' ' ' LEU . 11.1 mt -80.86 -28.62 35.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.486 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 2.5 m -125.22 -172.53 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.7 mtt180 -97.46 -24.36 15.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.247 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -154.33 175.35 13.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.457 ' NH2' ' O ' ' A' ' 41' ' ' SER . 10.6 ttt-85 -64.05 -40.58 96.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -49.15 -65.08 0.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.486 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 2.2 mt-10 -40.6 -47.8 2.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -56.35 -40.03 84.35 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.539 1.149 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.6 OUTLIER -58.22 -47.53 83.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 0.763 . . . . 0.0 109.277 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 26.4 mtm -67.28 -51.85 47.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.1 mm -54.21 -49.33 63.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.571 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 3.4 m -43.52 -50.34 7.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.0 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -50.14 -45.29 52.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.27 -37.98 62.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.741 HD11 HD11 ' A' ' 11' ' ' LEU . 19.9 mt -68.64 -57.72 5.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.78 HD21 ' HB2' ' A' ' 83' ' ' ALA . 11.8 tp -50.13 -55.54 14.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.64 -65.11 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.036 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -45.26 -33.39 2.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 107.52 30.84 3.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.58 ' C ' HD22 ' A' ' 72' ' ' LEU . 21.7 m-85 -85.94 -22.94 27.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.782 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.677 ' O ' HD12 ' A' ' 67' ' ' LEU . 2.9 mm? -119.19 120.42 37.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.424 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . 17.4 mm-40 -97.89 130.64 28.37 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -75.01 126.97 10.3 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.485 1.782 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -118.69 102.05 8.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 133.95 -122.54 3.04 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.461 1.1 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.76 -50.32 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 0.783 . . . . 0.0 109.356 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.615 ' C ' HD23 ' A' ' 78' ' ' LEU . 5.8 tt -47.39 -71.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.5 p -49.09 -24.45 1.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.992 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -51.02 18.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -57.36 -42.03 81.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.561 ' HB2' ' CD1' ' A' ' 92' ' ' LEU . . . -52.61 -59.01 4.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.78 ' HB2' HD21 ' A' ' 67' ' ' LEU . . . -89.21 43.33 1.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.108 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -111.72 -65.06 1.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.422 1.076 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -160.3 25.66 0.3 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.682 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 4.9 mm -65.09 -67.07 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 0.776 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 86' ' ' ILE . . . 84.0 164.33 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER 73.14 -7.0 1.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.256 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.538 ' CB ' ' O ' ' A' ' 88' ' ' GLU . 1.0 OUTLIER 153.65 102.15 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.336 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.527 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 18.5 Cg_endo -74.99 -29.55 8.12 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.508 1.793 . . . . 0.0 111.042 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.571 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 1.5 t80 -79.52 139.37 37.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.561 ' CD1' ' HB2' ' A' ' 82' ' ' ALA . 79.7 mt -117.66 109.7 16.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.44 ' OD1' ' NH1' ' A' ' 56' ' ' ARG . 22.7 t0 -68.38 72.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.55 147.98 35.25 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.985 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.434 ' HA ' ' HB ' ' A' ' 39' ' ' THR . 18.5 Cg_endo -74.96 -4.71 15.81 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.467 1.772 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.437 ' O ' ' CZ ' ' A' ' 98' ' ' PHE . 0.2 OUTLIER -82.71 -48.26 11.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.278 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.84 112.06 3.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.534 ' CD1' HD13 ' A' ' 27' ' ' LEU . 9.5 m-85 -100.77 139.13 36.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -139.59 140.19 36.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 111.05 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.424 ' CE1' ' HB2' ' A' ' 73' ' ' GLN . 33.5 p90 -131.56 146.71 52.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 111.058 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.549 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 12.9 m-85 -65.51 138.16 96.76 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 72.51 4.61 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.511 1.795 . . . . 0.0 110.945 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -177.04 -41.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.021 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 12' ' ' TYR . 5.0 mp . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.497 ' O ' ' CD1' ' A' ' 13' ' ' LEU . . . -36.98 -79.1 0.04 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.429 1.081 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.49 -43.69 8.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 0.785 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.868 HD23 ' C ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -57.07 -50.61 72.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.489 ' N ' ' O ' ' A' ' 8' ' ' LEU . 18.3 t80 -58.66 -48.42 81.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.966 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 9' ' ' GLY . 7.8 mp -46.45 -37.8 8.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.4 OUTLIER -69.97 -52.52 23.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.972 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.523 ' SD ' HD21 ' A' ' 11' ' ' LEU . 8.4 mtt -46.29 -24.91 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.08 -40.64 78.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.491 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.1 t0 -58.06 112.74 5.23 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -0.72 10.32 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.524 1.802 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -119.03 -52.68 2.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -98.86 17.19 20.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -138.64 -154.22 6.39 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.543 1.152 . . . . 0.0 110.963 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.828 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -70.59 151.56 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.761 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.55 161.08 15.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.515 ' C ' HD13 ' A' ' 25' ' ' LEU . 34.3 mt-10 -124.48 105.36 9.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.548 HD22 ' N ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -109.52 166.54 10.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 1.016 ' O ' HD13 ' A' ' 27' ' ' LEU . 4.4 p-10 -102.93 131.12 50.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.174 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.016 HD13 ' O ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.1 t . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -77.16 101.54 6.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -102.06 157.22 17.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 52.65 42.24 31.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.601 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 73.4 m -121.01 -176.73 3.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 108.291 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.734 HD22 ' CG2' ' A' ' 22' ' ' ILE . 0.7 OUTLIER -127.22 -148.92 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.7 HG23 ' O ' ' A' ' 38' ' ' LEU . 2.2 p -159.9 129.19 5.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.4 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 39' ' ' THR . . . -37.29 -55.7 1.54 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.54 1.15 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 t -64.96 -49.71 69.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 45' ' ' ASP . . . -52.25 -51.98 38.88 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.555 1.159 . . . . 0.0 111.044 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.828 ' HA ' HD11 ' A' ' 22' ' ' ILE . 65.6 t -45.44 -50.26 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.57 0.806 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.933 ' HA ' HD12 ' A' ' 47' ' ' LEU . 25.2 mt -69.4 -28.68 39.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 42' ' ' GLY . 7.0 t0 -62.07 -42.83 99.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.543 ' CG ' HG13 ' A' ' 22' ' ' ILE . 81.6 t90 -64.1 -34.27 77.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 108.055 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.933 HD12 ' HA ' ' A' ' 44' ' ' ILE . 23.4 mt -65.67 -53.8 36.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 80.2 t -66.77 -37.93 80.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.69 -47.98 69.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.436 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 12.9 m-80 -82.12 -18.83 41.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.436 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 3.6 mmtt 83.52 42.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.814 HD12 HD23 ' A' ' 47' ' ' LEU . 9.6 mt -71.57 -25.48 62.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 2.6 m -130.66 -172.48 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.2 mtt85 -97.89 -27.08 14.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.344 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.409 ' N ' ' ND2' ' A' ' 55' ' ' ASN . 0.5 OUTLIER -152.49 172.05 17.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.65 ' HD2' HG21 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -59.81 -42.41 93.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 58' ' ' GLU . 5.7 tm0? -47.39 -66.41 0.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.492 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 2.2 mt-10 -38.26 -49.13 1.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.269 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.501 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -57.51 -47.21 89.89 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.44 HD23 ' HB2' ' A' ' 93' ' ' ASP . 0.5 OUTLIER -44.56 -50.63 9.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.0 109.29 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.443 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 26.5 mtm -64.01 -57.14 10.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 63' ' ' SER . 28.3 mm -50.8 -54.87 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.545 ' HB3' ' CD2' ' A' ' 91' ' ' PHE . 18.8 m -37.47 -50.49 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 61' ' ' MET . . . -47.26 -54.87 9.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.413 ' CB ' HD21 ' A' ' 8' ' ' LEU . 1.3 t -45.72 -44.94 14.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.01 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.648 HD11 HD22 ' A' ' 11' ' ' LEU . 1.5 mm? -63.34 -55.79 21.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.506 HD22 ' O ' ' A' ' 67' ' ' LEU . 0.7 OUTLIER -55.02 -61.78 2.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.46 ' N ' HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -37.9 -66.21 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.02 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -38.69 -38.83 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 114.4 0.16 23.55 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.402 ' CE2' ' HB3' ' A' ' 8' ' ' LEU . 32.9 m-85 -57.42 -15.88 7.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 0.0 110.977 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.3 mt -132.26 126.07 32.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.509 ' CB ' ' CZ ' ' A' ' 100' ' ' TYR . 19.2 mm-40 -94.89 130.74 32.05 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 138.61 23.16 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.492 1.785 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -137.83 107.6 6.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.93 -108.29 0.51 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -159.18 -52.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 0.777 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.437 HD22 HD23 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -40.88 -79.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.636 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 95.4 p -43.02 -54.57 4.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -45.15 -68.84 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -43.29 -34.58 1.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' A' ' 79' ' ' SER . . . -69.46 -57.25 5.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -50.94 -25.88 5.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.347 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.49 -63.0 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 165.22 59.66 0.02 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.7 mm -77.66 -64.14 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.774 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -152.84 -140.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.29 12.5 36.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -134.15 91.94 22.54 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.441 ' O ' ' CD1' ' A' ' 92' ' ' LEU . 18.3 Cg_endo -74.95 -25.99 11.45 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.537 1.809 . . . . 0.0 111.027 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.571 ' C ' HD12 ' A' ' 92' ' ' LEU . 2.8 t80 -85.45 127.94 34.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.691 HD12 ' N ' ' A' ' 92' ' ' LEU . 1.2 mp -103.12 110.02 21.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.44 ' HB2' HD23 ' A' ' 60' ' ' LEU . 12.5 t70 -70.21 65.48 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.45 149.46 65.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -11.92 21.56 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.587 ' O ' ' CE2' ' A' ' 98' ' ' PHE . 0.8 OUTLIER -73.87 -58.25 3.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -46.13 158.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.587 ' CE2' ' O ' ' A' ' 96' ' ' ASP . 53.8 m-85 -146.74 135.14 21.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 38' ' ' LEU . 88.3 m-85 -133.53 153.73 51.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.974 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.509 ' CZ ' ' CB ' ' A' ' 73' ' ' GLN . 39.0 p90 -144.53 142.52 30.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.402 ' CZ ' ' HB3' ' A' ' 15' ' ' MET . 34.7 m-85 -63.24 149.88 90.3 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 72.82 4.52 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 0.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.9 t0 174.73 -39.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.998 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 m -107.22 -16.27 14.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 0.791 . . . . 0.0 109.958 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.26 -12.07 23.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.993 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.27 -169.23 14.57 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.499 1.125 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 56.34 60.6 3.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 0.745 . . . . 0.0 110.025 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 m -50.88 117.16 2.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 110.006 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.64 -82.13 0.3 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 9' ' ' GLY . 4.8 mp -40.9 -61.68 0.93 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -35.53 -71.87 0.15 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.27 -52.58 7.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 0.782 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.983 HD21 HD11 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -53.11 -56.13 18.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.578 ' CD2' ' CD1' ' A' ' 71' ' ' TYR . 22.4 t80 -52.97 -53.7 45.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 48.8 mt -43.79 -35.77 2.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.5 OUTLIER -72.31 -51.55 20.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.002 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 8.1 mtt -44.18 -29.59 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.96 -44.5 95.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.485 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.5 t0 -55.0 114.6 7.3 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -2.05 12.03 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.478 1.778 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -118.1 -54.46 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -94.43 13.36 24.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.485 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -137.81 -155.09 6.75 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.442 1.089 . . . . 0.0 111.037 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.754 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -70.63 156.41 7.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 0.75 . . . . 0.0 109.267 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.409 ' O ' HG23 ' A' ' 22' ' ' ILE . 1.2 mttm -88.76 -175.34 4.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -149.44 106.34 3.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 110.326 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.81 171.73 7.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -110.43 102.73 11.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.281 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.2 mt -96.9 162.87 13.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.574 ' HG3' HG22 ' A' ' 33' ' ' VAL . 0.6 OUTLIER -128.77 170.45 13.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.315 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -169.64 112.76 0.49 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 72.49 -69.66 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.46 55.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.415 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -154.93 121.43 5.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.363 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.574 HG22 ' HG3' ' A' ' 28' ' ' GLU . 79.4 t -86.71 142.88 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.415 ' CE1' ' HG3' ' A' ' 32' ' ' LYS . 35.7 m-85 -126.98 101.43 6.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -87.44 156.86 19.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 49.37 53.09 13.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.615 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.514 ' C ' HD23 ' A' ' 38' ' ' LEU . 10.8 m -125.98 163.44 22.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 108.337 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.514 HD23 ' C ' ' A' ' 37' ' ' CYS . 1.7 mt -119.1 -150.87 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.51 ' O ' HG23 ' A' ' 43' ' ' VAL . 2.3 p -152.78 135.29 15.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.375 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -43.95 -52.32 6.84 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.546 1.153 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -73.65 -46.16 48.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 110.05 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 45' ' ' ASP . . . -52.14 -47.94 53.98 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.754 ' HA ' HD11 ' A' ' 22' ' ' ILE . 41.6 t -48.16 -39.68 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.903 ' HA ' HD12 ' A' ' 47' ' ' LEU . 10.5 mt -78.7 -29.23 14.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 42' ' ' GLY . 7.9 t0 -59.95 -41.39 91.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.52 ' CG ' HG13 ' A' ' 22' ' ' ILE . 84.0 t90 -66.87 -34.31 77.52 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.97 HD23 HD12 ' A' ' 52' ' ' LEU . 21.2 mt -65.09 -55.54 18.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 72.1 t -66.57 -41.49 88.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.4 m -48.81 -49.75 37.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.944 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.422 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 7.4 m-80 -82.35 -18.86 40.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 4.3 mmtt 82.51 55.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.97 HD12 HD23 ' A' ' 47' ' ' LEU . 12.2 mt -84.98 -20.44 30.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 2.6 m -134.54 -173.41 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -93.2 -29.16 15.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -153.43 173.24 15.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.093 . . . . 0.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.714 ' HD2' HG21 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -60.34 -40.64 91.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.282 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -48.01 -65.05 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.466 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 1.7 mt-10 -38.58 -48.4 1.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.35 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.56 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -57.95 -43.71 94.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.6 OUTLIER -48.72 -45.97 40.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 0.721 . . . . 0.0 109.265 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 43.3 mtm -67.41 -54.75 17.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 23.9 mm -54.23 -52.08 41.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 91' ' ' PHE . 15.1 m -39.83 -49.57 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.975 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.56 -52.19 49.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.52 -40.45 59.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.023 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.983 HD11 HD21 ' A' ' 11' ' ' LEU . 27.3 mt -64.13 -56.49 14.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.593 HD12 ' O ' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -56.3 -56.6 19.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -37.25 -69.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.981 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -39.67 -39.65 0.79 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 115.49 15.38 7.6 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.464 1.103 . . . . 0.0 110.974 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.578 ' CD1' ' CD2' ' A' ' 12' ' ' TYR . 23.7 m-85 -72.4 -16.12 61.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.757 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.593 ' O ' HD12 ' A' ' 67' ' ' LEU . 14.8 mt -135.2 122.37 21.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.434 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . 17.5 mm-40 -98.08 137.3 20.84 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 145.28 31.23 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.802 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -149.59 114.56 5.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 120.25 -92.61 0.52 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' SER . 0.3 OUTLIER -165.35 -172.59 2.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.751 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.0 mp 65.26 -77.15 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.45 ' HB2' ' CE1' ' A' ' 99' ' ' TYR . 78.9 p -45.36 -48.11 13.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.67 -59.26 4.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -48.8 -34.05 11.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.446 ' HA ' ' CG1' ' A' ' 86' ' ' ILE . . . -69.7 -58.94 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -49.6 -25.37 2.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -55.63 -63.16 1.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 166.7 50.18 0.03 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.651 HG22 ' N ' ' A' ' 87' ' ' ALA . 3.4 mm -67.5 -75.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 0.749 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.651 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -137.29 -145.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.95 8.75 36.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -133.53 106.58 11.96 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.463 ' HB2' ' CD2' ' A' ' 67' ' ' LEU . 18.4 Cg_endo -74.99 -31.94 5.81 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.48 1.779 . . . . 0.0 111.024 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 63' ' ' SER . 3.6 t80 -77.95 153.86 32.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.435 HD11 ' HB2' ' A' ' 82' ' ' ALA . 21.4 mt -134.44 113.29 11.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -73.33 67.68 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.14 147.14 62.66 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -11.33 21.51 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.454 1.766 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.515 ' O ' ' CZ ' ' A' ' 98' ' ' PHE . 18.1 m-20 -79.74 -46.53 16.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.98 143.59 56.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.515 ' CZ ' ' O ' ' A' ' 96' ' ' ASP . 16.6 m-85 -133.39 149.38 51.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.534 ' CE1' HD13 ' A' ' 67' ' ' LEU . 94.0 m-85 -140.68 163.77 31.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.434 ' CE1' ' HB2' ' A' ' 73' ' ' GLN . 26.5 p90 -156.46 150.05 24.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -70.96 142.69 88.08 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 111.036 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 72.17 4.75 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.541 1.811 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -176.75 -40.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.03 -77.65 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.043 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 48.84 -171.3 0.07 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 111.061 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 98.64 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.547 1.814 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.27 125.83 26.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 110.006 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.6 p -62.47 131.42 49.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 61.43 92.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 110.012 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.22 156.17 38.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.972 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.83 -144.83 4.43 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.37 -57.56 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.782 . . . . 0.0 110.004 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.89 -54.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.034 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.55 70.54 0.29 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.558 1.161 . . . . 0.0 111.041 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.746 HD22 ' CD2' ' A' ' 66' ' ' LEU . 78.9 mt -128.77 -52.35 1.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.735 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -35.81 -55.48 1.09 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.4 -49.87 6.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.763 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 8' ' ' LEU . 41.6 mt -55.09 -62.73 1.47 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.526 ' CG ' ' CD1' ' A' ' 71' ' ' TYR . 31.0 t80 -46.77 -43.41 18.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 78.7 mt -59.77 -47.19 86.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.82 -50.08 53.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.991 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 11.1 mtp -48.76 -22.17 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.428 ' CG ' ' O ' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -68.86 -43.41 75.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.454 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 2.2 t0 -56.64 116.71 13.78 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -2.15 12.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.545 1.813 . . . . 0.0 110.999 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -119.05 -54.01 2.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 110.328 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -94.18 14.8 18.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.454 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -138.53 -154.31 6.43 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.795 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -68.54 155.19 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.778 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.4 ' O ' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -82.7 178.21 8.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -146.44 95.73 2.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.92 153.65 20.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.969 ' C ' HD13 ' A' ' 27' ' ' LEU . 7.6 p-10 -101.54 125.41 48.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.969 HD13 ' C ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -124.46 148.6 47.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -120.86 86.11 2.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 31' ' ' LYS . 3.4 tttt -81.66 115.47 20.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.42 -70.47 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.263 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -168.13 38.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -127.6 100.94 6.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.425 HG12 ' OD1' ' A' ' 35' ' ' ASN . 76.1 t -73.2 83.9 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.452 ' CE1' ' HB1' ' A' ' 75' ' ' ALA . 52.9 m-85 -70.97 104.16 2.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.939 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.425 ' OD1' HG12 ' A' ' 33' ' ' VAL . 2.0 m120 -99.92 142.25 31.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 60.46 50.95 5.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.54 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.487 ' C ' HD23 ' A' ' 38' ' ' LEU . 66.9 m -121.44 166.37 14.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 108.279 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.615 ' O ' HG23 ' A' ' 39' ' ' THR . 1.0 OUTLIER -118.41 -150.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.615 HG23 ' O ' ' A' ' 38' ' ' LEU . 2.3 p -157.4 137.03 12.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.428 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -45.58 -44.31 11.67 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 110.948 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.8 t -75.45 -53.25 8.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 109.954 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -50.8 -44.5 48.8 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 111.055 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.795 ' HA ' HD11 ' A' ' 22' ' ' ILE . 39.9 t -51.4 -42.71 28.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.711 HG21 ' HD2' ' A' ' 56' ' ' ARG . 17.5 mt -78.61 -27.11 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -63.84 -39.42 94.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.528 ' CG ' HG13 ' A' ' 22' ' ' ILE . 85.9 t90 -67.4 -34.83 78.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 107.989 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.901 HD23 HD12 ' A' ' 52' ' ' LEU . 81.2 mt -64.87 -53.9 39.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.2 t -67.77 -43.23 86.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.9 m -46.7 -50.15 18.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.971 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.421 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 8.8 m-80 -82.16 -20.17 38.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 4.4 mmtt 82.72 53.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.901 HD12 HD23 ' A' ' 47' ' ' LEU . 12.0 mt -82.94 -20.83 34.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 2.8 m -132.15 -172.13 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.3 mtt-85 -95.87 -23.05 17.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.334 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.442 ' N ' ' ND2' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -157.95 176.23 12.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.252 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.711 ' HD2' HG21 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -63.98 -40.12 95.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.243 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.439 ' CB ' ' OD1' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -48.45 -66.64 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.102 . . . . 0.0 110.335 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.477 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 1.8 mt-10 -38.29 -49.34 1.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.493 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -57.76 -49.2 76.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -44.18 -50.15 8.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 32.0 mtm -63.97 -57.08 10.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 65' ' ' SER . 11.6 mm -51.28 -55.27 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.547 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 5.7 m -37.3 -51.23 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.971 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -50.78 -50.78 55.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.255 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -49.6 -42.77 45.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.97 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.746 ' CD2' HD22 ' A' ' 8' ' ' LEU . 2.2 mm? -62.49 -56.76 15.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.242 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.693 HD12 ' O ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -53.55 -57.81 9.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.1 OUTLIER -42.69 -64.67 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.044 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -40.52 -29.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 68' ' ' SER . . . 102.83 28.18 6.35 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.526 ' CD1' ' CG ' ' A' ' 12' ' ' TYR . 26.3 m-85 -89.27 -20.3 24.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 0.775 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.693 ' O ' HD12 ' A' ' 67' ' ' LEU . 15.5 mt -132.95 118.79 19.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.412 ' HB2' ' CZ ' ' A' ' 100' ' ' TYR . 92.1 mm-40 -91.93 144.16 28.84 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 136.82 20.83 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.542 1.812 . . . . 0.0 110.958 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.452 ' HB1' ' CE1' ' A' ' 34' ' ' PHE . . . -125.65 72.66 1.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 149.23 164.01 11.34 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.457 1.098 . . . . 0.0 110.981 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.86 -46.45 81.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 0.792 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 tt -47.39 -62.09 1.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.691 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 88.0 p -55.33 -53.84 51.06 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.564 1.165 . . . . 0.0 109.985 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -40.77 -68.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -43.8 -47.65 8.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.813 ' HB1' ' O ' ' A' ' 90' ' ' PRO . . . -46.32 -56.15 6.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.81 55.18 2.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -137.46 -61.15 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.263 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -179.71 38.06 0.07 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.422 HD13 ' HA ' ' A' ' 86' ' ' ILE . 4.4 mm -71.04 -64.97 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.405 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -152.95 -143.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.79 9.85 40.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -134.23 108.16 11.35 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.813 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 18.5 Cg_endo -74.95 -37.97 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.789 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.547 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 2.7 t80 -76.37 140.78 41.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 94' ' ' SER . 45.2 mt -123.07 112.87 18.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -68.61 68.1 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 92' ' ' LEU . 1.1 t -135.4 147.02 60.22 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.999 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -11.86 21.39 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.797 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.558 ' O ' ' CE2' ' A' ' 98' ' ' PHE . 2.9 m-20 -80.93 -44.26 18.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.01 122.04 16.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.558 ' CE2' ' O ' ' A' ' 96' ' ' ASP . 78.3 m-85 -112.61 151.39 30.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.414 ' CE1' ' HB2' ' A' ' 79' ' ' SER . 64.2 m-85 -146.51 168.01 22.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.412 ' CZ ' ' HB2' ' A' ' 73' ' ' GLN . 27.8 p90 -159.19 161.95 36.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 18.7 m-85 -80.81 142.82 53.01 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.952 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 101' ' ' PHE . 18.3 Cg_endo -75.01 70.15 5.38 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.462 1.769 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -176.07 -39.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.36 -69.32 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.951 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 42.56 -166.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 81.6 2.18 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 110.951 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.425 ' O ' ' CB ' ' A' ' 108' ' ' SER . 0.2 OUTLIER -91.76 -50.58 5.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 107' ' ' SER . 0.2 OUTLIER 79.66 -54.07 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.011 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.458 1.098 . . . . 0.0 111.047 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.66 133.24 36.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 0.737 . . . . 0.0 109.989 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 170.4 155.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.982 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.84 -173.25 18.2 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.3 m 60.97 159.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 0.791 . . . . 0.0 109.992 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.5 t -47.36 -49.36 24.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 110.011 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.89 73.75 0.06 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.508 1.13 . . . . 0.0 110.946 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.745 HD22 ' CD2' ' A' ' 66' ' ' LEU . 57.8 mt -116.9 -62.36 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -33.0 -69.16 0.16 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.53 -44.7 46.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 109.263 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.888 HD13 ' N ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -59.17 -53.51 57.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.888 ' N ' HD13 ' A' ' 11' ' ' LEU . 17.9 t80 -53.17 -41.87 65.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 16' ' ' LYS . 31.4 mt -57.72 -36.88 72.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -47.5 73.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 109.997 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.7 mtt -49.79 -38.85 36.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.95 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -50.67 -45.98 58.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.47 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 2.5 t0 -54.22 113.23 4.8 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -0.67 10.26 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.532 1.806 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -119.25 -54.61 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -94.13 12.4 26.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.47 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -135.83 -151.64 6.2 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.737 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -71.25 153.29 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.756 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.07 146.74 24.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -124.19 105.71 9.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.449 HD22 ' N ' ' A' ' 25' ' ' LEU . 2.2 mm? -98.82 162.83 12.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.423 ' ND2' ' O ' ' A' ' 26' ' ' ASN . 2.2 p-10 -87.54 86.65 7.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 mt -78.67 131.35 36.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.446 ' CD ' ' CG2' ' A' ' 33' ' ' VAL . 12.6 tt0 -114.79 100.41 8.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 16.9 tptt -89.07 75.61 7.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.361 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER 75.6 -66.96 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 tttm -126.49 -50.59 1.51 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -56.67 115.81 2.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.446 ' CG2' ' CD ' ' A' ' 28' ' ' GLU . 6.9 t -113.99 107.41 22.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -96.26 107.51 19.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.532 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 6.5 m-80 -94.58 35.96 1.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.532 ' CD2' ' O ' ' A' ' 35' ' ' ASN . 6.6 m-70 -179.36 47.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.554 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.597 ' C ' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -120.33 170.08 9.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 108.308 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.652 ' O ' HG23 ' A' ' 39' ' ' THR . 3.6 mt -119.85 -148.64 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 38' ' ' LEU . 5.3 p -158.82 127.54 5.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.364 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -38.67 -45.8 2.06 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.85 -57.37 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.981 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -44.21 -45.97 8.11 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.119 . . . . 0.0 110.958 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.737 ' HA ' HD11 ' A' ' 22' ' ' ILE . 69.4 t -52.37 -49.31 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.553 HG21 ' HG3' ' A' ' 56' ' ' ARG . 43.1 mt -73.1 -21.85 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.438 ' O ' ' CB ' ' A' ' 49' ' ' SER . 3.7 t70 -72.49 -39.79 67.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.538 ' CG ' HG13 ' A' ' 22' ' ' ILE . 87.0 t90 -68.15 -33.48 74.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 108.016 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 1.034 HD23 HD12 ' A' ' 52' ' ' LEU . 86.3 mt -67.24 -53.39 30.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.4 ' O ' ' CE ' ' A' ' 51' ' ' LYS . 78.7 t -68.52 -39.89 81.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 45' ' ' ASP . 3.0 m -50.89 -52.78 38.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.959 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -82.16 -16.36 50.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.4 ' CE ' ' O ' ' A' ' 48' ' ' VAL . 3.2 mmtt 77.97 69.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 1.034 HD12 HD23 ' A' ' 47' ' ' LEU . 15.3 mt -100.14 -14.88 18.36 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.414 1.071 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.416 ' HB ' ' CB ' ' A' ' 58' ' ' GLU . 5.0 m -133.8 -172.47 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.6 mtt180 -88.3 -24.19 23.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.711 HD22 ' N ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -176.12 167.53 2.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.343 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.553 ' HG3' HG21 ' A' ' 44' ' ' ILE . 3.5 ttm180 -43.58 -46.68 7.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -43.82 -63.26 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.416 ' CB ' ' HB ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -49.17 -49.2 43.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.538 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -53.14 -48.17 59.4 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.537 1.148 . . . . 0.0 111.057 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.95 -51.53 23.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 0.771 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 15.9 mtm -62.59 -56.94 13.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 111.05 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 63' ' ' SER . 43.9 mm -48.86 -55.52 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.555 ' HB3' ' CD2' ' A' ' 91' ' ' PHE . 2.9 m -37.83 -54.86 1.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.966 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -46.76 -52.42 14.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.1 -42.75 19.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.777 HD11 ' CD1' ' A' ' 11' ' ' LEU . 1.6 mm? -65.6 -53.44 41.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.422 ' CD2' ' HB2' ' A' ' 90' ' ' PRO . 1.7 tp -54.66 -51.53 65.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.26 -63.88 0.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 110.016 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -41.47 -37.87 1.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 111.15 20.24 7.21 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.609 ' CD1' ' CD2' ' A' ' 12' ' ' TYR . 32.1 m-85 -79.15 -19.63 50.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 0.751 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.5 mt -129.33 121.34 27.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.54 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . 65.2 mm-40 -97.1 143.7 26.58 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.23 4.53 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.515 1.797 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.579 ' HB2' ' CD1' ' A' ' 100' ' ' TYR . . . -107.53 98.14 7.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 136.55 -136.12 8.17 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -126.75 -51.85 1.46 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.753 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.43 -31.6 55.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 52.0 p -76.08 -23.45 55.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.021 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -76.02 -24.71 55.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -82.16 -17.77 45.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.796 ' HB1' ' O ' ' A' ' 90' ' ' PRO . . . -70.1 -42.96 72.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.37 30.06 2.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.335 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.63 -63.48 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.165 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 158.6 42.74 0.02 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.582 HG22 ' N ' ' A' ' 87' ' ' ALA . 13.8 mt -60.91 -80.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 0.77 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.582 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -133.93 -140.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.93 7.89 42.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -135.65 106.51 9.91 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.796 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 18.5 Cg_endo -74.9 -41.02 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.535 1.808 . . . . 0.0 111.041 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.555 ' CD2' ' HB3' ' A' ' 63' ' ' SER . 3.9 t80 -62.54 149.18 43.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 94' ' ' SER . 18.1 mt -125.32 111.29 15.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -69.6 63.99 0.18 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.355 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 92' ' ' LEU . 1.6 t -134.77 145.37 54.5 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.995 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -4.23 15.1 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.51 ' O ' ' CE1' ' A' ' 98' ' ' PHE . 7.2 m-20 -86.0 -54.28 4.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -53.34 122.45 9.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.51 ' CE1' ' O ' ' A' ' 96' ' ' ASP . 25.3 m-85 -109.61 155.07 21.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 38' ' ' LEU . 95.8 m-85 -153.96 162.87 40.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.579 ' CD1' ' HB2' ' A' ' 75' ' ' ALA . 15.3 p90 -150.88 161.86 41.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.636 ' CE1' HD11 ' A' ' 38' ' ' LEU . 10.6 m-85 -84.2 139.36 39.23 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 71.64 4.98 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.474 1.776 . . . . 0.0 111.01 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 176.77 -42.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.364 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 105' ' ' GLY . 9.3 t -94.74 -72.17 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.972 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.5 ' O ' ' CB ' ' A' ' 36' ' ' HIS . . . 38.82 -159.52 0.01 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -58.45 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.482 1.78 . . . . 0.0 110.953 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.0 t 72.7 -62.64 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.025 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 36.6 p -53.67 -51.85 61.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.997 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.565 ' HB2' HD21 ' A' ' 13' ' ' LEU . 22.7 t -176.79 132.23 0.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 0.749 . . . . 0.0 109.984 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.66 143.77 39.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.81 -149.85 17.37 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.47 121.5 1.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 0.781 . . . . 0.0 109.998 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.14 -63.94 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.009 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -43.7 -63.02 2.35 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.541 HD22 ' HG ' ' A' ' 66' ' ' LEU . 9.2 mt -61.94 -55.95 24.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 0.803 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -36.58 -73.13 0.13 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -42.79 -45.93 5.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 0.797 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.661 HD21 HD11 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -58.92 -56.44 22.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.59 ' CD2' ' CD1' ' A' ' 71' ' ' TYR . 21.7 t80 -50.94 -46.43 60.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.565 HD21 ' HB2' ' A' ' 2' ' ' SER . 30.8 mt -50.74 -39.13 51.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.85 -48.23 63.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.991 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.1 mtt -45.96 -28.37 1.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 111.048 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.58 -45.9 88.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.493 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.3 t70 -53.74 113.64 5.2 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -1.46 11.24 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.532 1.806 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -118.29 -54.24 2.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.344 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -95.09 13.08 26.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.493 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -137.24 -154.54 6.69 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.84 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -76.07 151.89 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.764 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.08 161.08 14.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.491 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -132.34 121.46 23.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.294 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.31 170.66 7.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 26' ' ' ASN . 2.3 p-10 -96.06 84.97 3.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.153 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mt -82.45 139.07 34.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.458 ' HB2' HG22 ' A' ' 33' ' ' VAL . 20.0 tt0 -128.29 150.15 50.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -124.08 -65.92 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 31' ' ' LYS . 7.0 p-10 -142.99 84.39 1.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.421 ' O ' HG23 ' A' ' 33' ' ' VAL . 9.4 mmmt 80.59 -52.51 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -58.93 125.71 24.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.458 HG22 ' HB2' ' A' ' 28' ' ' GLU . 57.8 t -118.66 95.23 3.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -70.66 101.4 2.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -93.47 151.27 19.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.441 ' ND1' ' OE2' ' A' ' 24' ' ' GLU . 46.4 m-70 53.59 39.92 30.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 109.575 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.686 ' C ' HD23 ' A' ' 38' ' ' LEU . 1.7 m -115.83 174.84 5.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 108.301 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.686 HD23 ' C ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -127.52 -150.37 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.527 ' O ' HG23 ' A' ' 43' ' ' VAL . 4.1 p -142.74 -168.51 2.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.414 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.97 -44.4 1.64 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 t -75.84 -52.78 9.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 0.755 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -48.26 -47.04 28.05 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.438 1.086 . . . . 0.0 110.963 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.84 ' HA ' HD11 ' A' ' 22' ' ' ILE . 42.8 t -45.9 -41.53 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.961 ' HA ' HD12 ' A' ' 47' ' ' LEU . 12.9 mt -77.34 -42.12 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -51.5 -40.11 58.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.511 ' CG ' HG13 ' A' ' 22' ' ' ILE . 78.7 t90 -65.39 -40.18 93.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 107.989 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.961 HD12 ' HA ' ' A' ' 44' ' ' ILE . 13.1 mt -59.82 -46.91 87.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.2 t -71.93 -44.31 67.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.53 -48.78 38.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.987 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.41 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 10.6 m-80 -81.02 -19.9 42.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 4.9 mmtt 81.04 68.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.948 HD12 HD23 ' A' ' 47' ' ' LEU . 13.8 mt -102.48 -21.4 14.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.9 m -131.56 -171.79 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -97.92 -23.4 15.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.284 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.631 HD22 ' N ' ' A' ' 55' ' ' ASN . 0.1 OUTLIER -159.5 174.89 13.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.735 ' HD2' HG21 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -61.41 -41.89 97.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.324 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.496 ' CB ' ' OD1' ' A' ' 55' ' ' ASN . 5.2 tm0? -48.0 -67.34 0.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 57' ' ' GLN . 1.3 tt0 -38.13 -50.1 1.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.563 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -54.77 -44.58 80.63 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.9 OUTLIER -48.96 -55.4 11.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.757 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 29.6 mtm -56.38 -53.58 55.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 63' ' ' SER . 27.0 mm -55.58 -52.06 51.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.573 ' HB3' ' CD2' ' A' ' 91' ' ' PHE . 43.0 m -39.27 -56.32 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.586 ' HB1' ' HD2' ' A' ' 90' ' ' PRO . . . -47.45 -48.82 26.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.58 -37.74 63.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.661 HD11 HD21 ' A' ' 11' ' ' LEU . 7.5 mt -69.41 -54.52 14.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -56.2 -57.42 12.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -42.1 -65.44 0.46 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -39.04 -38.91 0.5 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.426 1.079 . . . . 0.0 110.293 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 113.84 22.41 5.35 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.59 ' CD1' ' CD2' ' A' ' 12' ' ' TYR . 33.4 m-85 -82.24 -14.68 55.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 0.782 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.413 ' O ' HD12 ' A' ' 67' ' ' LEU . 13.9 mt -137.43 117.82 13.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.414 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 49.4 mm-40 -88.67 138.34 29.82 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -75.02 142.7 28.1 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.483 1.78 . . . . 0.0 110.948 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -136.83 113.33 10.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 128.92 -120.7 3.35 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.138 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.88 -48.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 0.738 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.417 ' CD2' HD22 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -47.19 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.74 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 1.3 m -47.52 -36.16 9.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -59.11 -47.26 85.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -57.69 -17.89 17.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.876 ' HA ' HD12 ' A' ' 86' ' ' ILE . . . -72.44 -56.83 4.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.1 -14.0 32.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -53.59 -64.88 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 157.82 43.74 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.477 1.11 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.876 HD12 ' HA ' ' A' ' 82' ' ' ALA . 24.0 mt -64.91 -72.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.481 0.754 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.442 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -145.29 -138.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.89 11.25 37.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -129.37 85.31 59.52 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.625 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 18.5 Cg_endo -74.96 -21.05 16.35 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.499 1.789 . . . . 0.0 111.009 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.656 ' C ' HD12 ' A' ' 92' ' ' LEU . 6.0 t80 -84.13 131.25 34.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.706 HD12 ' N ' ' A' ' 92' ' ' LEU . 1.0 OUTLIER -106.04 108.79 20.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.431 ' OD1' ' NE ' ' A' ' 56' ' ' ARG . 6.3 t0 -69.39 67.42 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -145.02 152.42 51.37 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.97 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -8.34 19.92 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.499 1.789 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.44 ' O ' ' CE1' ' A' ' 98' ' ' PHE . 4.7 m-20 -76.94 -55.8 5.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.07 129.19 37.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.118 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.44 ' CE1' ' O ' ' A' ' 96' ' ' ASP . 25.0 m-85 -115.9 137.5 52.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 111.037 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 79' ' ' SER . 32.8 m-85 -135.96 158.1 45.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -152.2 147.93 26.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.421 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 22.3 m-85 -66.96 150.26 97.99 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 73.73 4.23 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.477 1.777 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 p30 174.79 -42.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.14 170.64 7.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.006 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 138.38 -153.2 22.33 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 171.98 17.27 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.54 1.811 . . . . 0.0 111.053 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.61 122.38 27.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 109.964 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 97.6 p -161.74 157.01 23.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.975 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m -125.89 121.82 34.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.773 . . . . 0.0 110.002 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.43 115.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 109.979 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.02 -77.83 0.05 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 p -46.41 169.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 0.74 . . . . 0.0 110.012 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -41.06 -57.35 2.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.979 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.68 81.63 0.08 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.778 HD22 ' CD2' ' A' ' 66' ' ' LEU . 65.3 mt -123.56 -58.49 1.6 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 0.733 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -38.59 -71.0 0.26 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.55 1.156 . . . . 0.0 110.992 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.55 -45.46 9.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.641 ' CD2' HD11 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -59.05 -56.12 26.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.604 ' CG ' ' CD1' ' A' ' 71' ' ' TYR . 22.2 t80 -50.94 -43.5 60.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 13' ' ' LEU . 27.9 mt -54.69 -40.39 69.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.01 -51.01 64.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 101' ' ' PHE . 11.4 mtt -45.38 -25.04 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -67.78 -44.98 76.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.468 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.2 t70 -55.51 115.33 9.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -2.31 12.38 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.483 1.781 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -118.72 -54.25 2.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -93.59 13.56 21.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.468 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -138.63 -153.73 6.26 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.923 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -75.97 152.52 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 0.794 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.641 ' HB3' HD21 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -82.47 176.1 9.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.361 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.7 ' C ' HD22 ' A' ' 25' ' ' LEU . 34.5 mt-10 -142.03 100.0 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.738 HD22 ' N ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -121.03 149.64 42.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.334 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -77.89 144.95 36.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.254 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mt -136.53 117.4 14.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -104.78 147.72 27.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.323 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.2 tttm -110.28 -42.63 4.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -154.93 -48.2 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.451 ' O ' HG23 ' A' ' 33' ' ' VAL . 1.8 mttp -140.79 -47.41 0.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.123 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -50.75 115.57 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 31' ' ' LYS . 86.9 t -96.84 80.28 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.113 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -70.77 104.03 2.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -89.54 159.15 17.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.254 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 42.3 70.72 0.26 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.595 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.1 m -130.38 164.62 24.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 108.295 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.727 ' O ' HG23 ' A' ' 39' ' ' THR . 0.3 OUTLIER -122.98 -155.45 0.65 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.834 ' O ' HG13 ' A' ' 43' ' ' VAL . 1.9 p -160.82 136.76 8.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 110.399 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.53 -25.74 35.99 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.438 ' O ' ' NH2' ' A' ' 56' ' ' ARG . 7.4 t -84.69 -38.01 20.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.36 -41.35 25.95 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.923 ' HA ' HD11 ' A' ' 22' ' ' ILE . 17.4 m -55.53 -55.38 17.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 0.754 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.74 ' HA ' HD12 ' A' ' 47' ' ' LEU . 79.8 mt -54.92 -41.62 59.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -56.27 -36.95 69.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.516 ' CG ' HG13 ' A' ' 22' ' ' ILE . 83.1 t90 -70.75 -34.91 72.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 107.981 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.74 HD12 ' HA ' ' A' ' 44' ' ' ILE . 67.8 mt -61.26 -51.53 68.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 41.3 t -69.08 -46.06 78.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.56 1.163 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.82 -52.37 8.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.985 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.432 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 14.6 m-80 -77.0 -21.99 53.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 5.2 mmtt 83.44 53.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.498 HD12 HD23 ' A' ' 47' ' ' LEU . 11.5 mt -83.92 -29.27 27.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.49 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 2.4 m -127.35 -175.5 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -97.03 -28.09 14.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.478 ' N ' ' ND2' ' A' ' 55' ' ' ASN . 0.2 OUTLIER -147.65 169.57 19.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.256 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.463 ' HG3' ' CG2' ' A' ' 44' ' ' ILE . 5.5 ttt-85 -60.32 -43.94 95.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.408 ' O ' ' HB3' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -46.43 -61.83 1.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.364 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.49 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 1.9 mt-10 -44.38 -45.01 8.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -57.73 -44.05 94.27 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.408 ' HB3' ' O ' ' A' ' 57' ' ' GLN . 4.7 tp -53.81 -63.89 1.0 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 0.758 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.484 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 28.2 mtm -48.59 -54.02 16.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 65' ' ' SER . 8.4 mm -52.84 -57.45 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.584 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 3.4 m -37.59 -48.45 1.02 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 61' ' ' MET . . . -48.79 -50.39 34.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.2 OUTLIER -55.08 -40.16 70.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.032 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.778 ' CD2' HD22 ' A' ' 8' ' ' LEU . 1.2 mm? -65.13 -56.26 13.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.511 ' CD1' ' CE1' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -54.21 -58.03 8.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -42.76 -64.62 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.005 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 68' ' ' SER . 53.1 mm-40 -38.62 -36.86 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 112.14 16.89 8.67 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.604 ' CD1' ' CG ' ' A' ' 12' ' ' TYR . 34.6 m-85 -75.71 -24.66 56.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 0.785 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.486 ' O ' HD12 ' A' ' 67' ' ' LEU . 20.7 mt -130.84 114.82 15.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -91.53 137.8 25.64 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 148.53 35.49 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.472 1.775 . . . . 0.0 111.047 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.41 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -149.96 105.25 3.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 125.64 -122.97 4.74 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.488 1.118 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.525 ' HB3' HD12 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -131.7 -172.9 2.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 0.787 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.525 HD12 ' HB3' ' A' ' 77' ' ' ASP . 8.6 mp 64.45 -77.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.813 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 12.8 p -44.81 -67.26 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.437 ' C ' ' N ' ' A' ' 82' ' ' ALA . 2.6 ttpp -46.53 -65.7 0.52 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -40.25 -30.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.813 ' HB3' ' O ' ' A' ' 79' ' ' SER . . . -68.04 -63.79 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -45.14 -26.67 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 82' ' ' ALA . 1.2 t0 -58.35 -61.73 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 164.42 57.32 0.02 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.702 HG22 ' N ' ' A' ' 87' ' ' ALA . 3.3 mm -75.36 -78.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.702 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -132.5 -144.79 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.04 7.78 45.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -135.35 105.99 10.16 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.421 ' O ' ' CD1' ' A' ' 92' ' ' LEU . 18.3 Cg_endo -74.97 -24.6 12.72 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.779 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.671 ' C ' HD12 ' A' ' 92' ' ' LEU . 1.5 t80 -86.64 129.93 34.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.698 HD12 ' N ' ' A' ' 92' ' ' LEU . 1.1 mp -107.98 107.64 18.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.553 ' OD1' HD12 ' A' ' 44' ' ' ILE . 11.2 t0 -67.46 69.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -147.0 152.41 43.68 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.015 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.4 ' HA ' ' HB ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -74.96 -9.39 20.81 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.529 1.805 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.66 -47.71 25.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.83 115.54 5.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -102.92 140.55 37.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.511 ' CE1' ' CD1' ' A' ' 67' ' ' LEU . 58.0 m-85 -139.64 150.5 45.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.41 ' CE1' ' HB2' ' A' ' 75' ' ' ALA . 30.9 p90 -142.89 142.88 31.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.41 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 32.6 m-85 -64.72 147.86 97.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 76.55 3.38 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.518 1.799 . . . . 0.0 110.961 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 172.15 -34.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 m -119.48 158.21 26.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.992 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 147.68 -151.59 23.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 137.78 22.18 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.543 1.812 . . . . 0.0 111.024 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.1 m -140.61 116.52 10.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.03 -90.25 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 t -175.9 79.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 110.009 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.39 163.69 27.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.959 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 39.62 -141.66 0.63 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.527 1.142 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 75.83 -57.28 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 0.745 . . . . 0.0 109.978 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 39.94 77.47 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.981 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.73 -90.15 0.27 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.507 ' O ' ' C ' ' A' ' 9' ' ' GLY . 6.0 mp -40.26 -68.12 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 0.774 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.507 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -28.7 -69.45 0.07 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.48 1.113 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.22 -56.13 10.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 0.797 . . . . 0.0 109.335 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.01 ' CD1' HD21 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -51.06 -56.3 13.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.974 ' N ' HD13 ' A' ' 11' ' ' LEU . 37.8 t80 -50.85 -52.24 43.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.531 HD23 ' HE3' ' A' ' 16' ' ' LYS . 20.4 mt -43.09 -40.75 3.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.61 -50.07 66.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.053 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 8.3 mtp -48.94 -30.04 5.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 111.048 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.531 ' HE3' HD23 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -61.98 -40.5 95.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.505 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 2.5 t0 -56.5 112.99 5.13 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -0.7 10.27 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.528 1.804 . . . . 0.0 111.044 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -118.03 -54.68 2.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.6 mtmm -97.76 16.12 21.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.505 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -139.62 -154.92 6.45 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.827 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -69.97 158.21 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 0.761 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.695 ' HB3' HD21 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -94.43 144.2 25.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.621 ' C ' HD22 ' A' ' 25' ' ' LEU . 20.7 mt-10 -114.11 107.17 15.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.695 HD21 ' HB3' ' A' ' 23' ' ' LYS . 1.2 mm? -120.34 161.23 21.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.818 HD21 HG13 ' A' ' 33' ' ' VAL . 1.1 t30 -88.14 125.38 34.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.1 mt -120.09 143.58 48.07 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -139.61 151.41 45.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.284 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -122.18 -54.86 1.89 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.408 ' O ' ' HB2' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -150.7 95.8 2.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 30' ' ' ASP . 1.6 mttp 73.28 -55.08 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -46.16 160.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.818 HG13 HD21 ' A' ' 26' ' ' ASN . 38.4 t -148.97 89.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.701 ' CE1' ' HB1' ' A' ' 75' ' ' ALA . 48.5 m-85 -71.08 108.21 4.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -82.68 149.64 27.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 39.92 55.59 2.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.61 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.674 ' O ' HD23 ' A' ' 38' ' ' LEU . 0.8 OUTLIER -106.61 170.38 7.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 108.33 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.799 HD11 ' CZ ' ' A' ' 101' ' ' PHE . 1.1 mt -131.69 -149.17 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 38' ' ' LEU . 2.7 p -159.94 127.99 4.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -37.91 -45.96 1.66 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 t -69.31 -59.07 3.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 0.0 110.015 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -48.06 -50.52 21.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.827 ' HA ' HD11 ' A' ' 22' ' ' ILE . 56.1 t -44.04 -45.48 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.489 0.758 . . . . 0.0 109.294 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.943 ' HA ' HD12 ' A' ' 47' ' ' LEU . 19.4 mt -73.46 -45.2 52.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -44.87 -45.86 10.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.516 ' CG ' HG13 ' A' ' 22' ' ' ILE . 86.6 t90 -60.57 -47.85 84.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 107.999 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 1.0 HD23 HD12 ' A' ' 52' ' ' LEU . 15.5 mt -51.99 -56.9 11.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.7 t -62.16 -47.36 93.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.86 -52.05 12.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.017 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.421 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 9.5 m-80 -81.18 -19.84 42.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 47' ' ' LEU . 4.1 mmtt 81.67 62.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 1.0 HD12 HD23 ' A' ' 47' ' ' LEU . 13.1 mt -95.47 -15.09 23.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.435 ' HB ' ' CB ' ' A' ' 58' ' ' GLU . 6.5 m -138.48 -175.01 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -82.3 -29.14 31.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.252 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -169.12 -178.02 3.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.687 ' HD2' HG21 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -55.72 -38.28 69.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -52.27 -71.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 110.327 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.435 ' CB ' ' HB ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -38.26 -51.54 1.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.552 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -50.77 -50.11 38.6 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.442 1.089 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.402 HD22 ' O ' ' A' ' 60' ' ' LEU . 1.6 tm? -47.52 -54.04 12.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 0.0 109.343 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 24.9 mtp -58.68 -52.92 63.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.2 mm -55.51 -49.7 71.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.561 ' HB3' ' CD2' ' A' ' 91' ' ' PHE . 5.1 m -41.27 -56.03 2.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.958 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.551 ' HB1' ' HD2' ' A' ' 90' ' ' PRO . . . -44.11 -46.49 8.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.0 -39.46 63.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.03 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 1.01 HD21 ' CD1' ' A' ' 11' ' ' LEU . 16.4 mt -67.62 -56.39 9.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.632 HD12 ' O ' ' A' ' 72' ' ' LEU . 15.9 tp -52.02 -56.72 12.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -38.63 -67.42 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 110.041 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -42.24 -36.37 1.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.332 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 111.49 28.86 3.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.56 1.163 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.687 ' C ' HD22 ' A' ' 72' ' ' LEU . 24.4 m-85 -83.82 -21.1 32.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.766 . . . . 0.0 111.003 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.687 HD22 ' C ' ' A' ' 71' ' ' TYR . 2.7 mm? -121.95 121.79 37.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.575 ' CB ' ' CZ ' ' A' ' 100' ' ' TYR . 24.0 mm-40 -96.63 132.64 25.86 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.99 134.29 17.66 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.528 1.804 . . . . 0.0 111.033 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.701 ' HB1' ' CE1' ' A' ' 34' ' ' PHE . . . -138.37 88.02 2.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 115.2 176.85 18.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 79' ' ' SER . 6.3 t0 -56.09 -176.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 0.798 . . . . 0.0 109.348 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.0 mp 64.13 -79.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.718 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 0.4 OUTLIER -48.03 -64.52 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.036 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.59 -64.05 0.57 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.451 ' O ' ' CB ' ' A' ' 84' ' ' ASP . 0.6 OUTLIER -51.68 -44.74 63.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.999 ' HB1' ' O ' ' A' ' 90' ' ' PRO . . . -42.95 -54.62 4.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.02 48.0 1.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.359 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.451 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 16.8 t70 -116.42 -65.1 1.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 170.89 38.76 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.438 1.086 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.743 HD12 ' HA ' ' A' ' 82' ' ' ALA . 11.9 mt -65.48 -78.06 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 0.758 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.522 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -136.77 -140.29 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.39 -17.01 25.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -107.78 103.13 48.35 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.999 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 18.2 Cg_endo -75.06 -27.9 9.53 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 63' ' ' SER . 1.8 t80 -79.26 140.25 37.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 94' ' ' SER . 44.5 mt -115.48 109.25 17.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.443 ' OD1' ' NE ' ' A' ' 56' ' ' ARG . 5.0 t70 -68.14 69.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -140.08 149.88 60.02 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.032 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -9.55 20.83 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.792 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.424 ' O ' ' CE1' ' A' ' 98' ' ' PHE . 0.8 OUTLIER -79.3 -66.31 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -42.34 119.94 1.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.424 ' CE1' ' O ' ' A' ' 96' ' ' ASP . 22.5 m-85 -107.52 144.95 33.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.439 ' CE1' HD13 ' A' ' 67' ' ' LEU . 26.5 m-85 -142.87 148.67 37.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.575 ' CZ ' ' CB ' ' A' ' 73' ' ' GLN . 35.1 p90 -138.01 144.33 41.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.799 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 14.2 m-85 -69.2 135.12 89.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 66.19 6.02 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.528 1.804 . . . . 0.0 111.03 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -179.86 -39.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.65 -38.28 7.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.012 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -60.0 -165.91 0.21 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.561 ' HD2' ' CD1' ' A' ' 100' ' ' TYR . 18.2 Cg_endo -75.0 84.37 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.507 1.793 . . . . 0.0 110.98 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.5 p -85.4 135.68 33.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.997 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 78.7 p -55.21 124.71 17.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 109.994 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.936 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.1 p -94.64 86.94 4.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 110.032 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -113.95 170.59 8.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.97 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 39.68 61.43 1.59 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.543 1.152 . . . . 0.0 110.992 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -143.53 -62.9 0.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.739 . . . . 0.0 109.976 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 43.51 84.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.003 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.69 -86.88 0.34 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 9' ' ' GLY . 5.8 mp -43.81 -62.34 1.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 109.356 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -33.86 -72.94 0.09 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.01 -51.42 5.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 0.747 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.958 HD21 ' CD1' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -55.53 -56.34 21.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.494 ' CG ' ' CD1' ' A' ' 71' ' ' TYR . 34.3 t80 -52.14 -48.12 65.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.9 mt -48.45 -40.24 25.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.48 -48.96 63.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.4 mtt -48.27 -22.76 0.72 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.44 -42.7 74.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.47 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.7 t70 -56.32 114.77 8.31 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -1.13 10.84 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -119.27 -54.1 2.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.27 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -95.58 15.27 20.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.47 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -138.24 -155.52 6.82 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.913 HG21 HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -71.84 154.01 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.74 . . . . 0.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -91.43 158.25 16.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.557 ' C ' HD22 ' A' ' 25' ' ' LEU . 6.9 mt-10 -117.81 107.86 14.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.632 HD22 ' N ' ' A' ' 25' ' ' LEU . 1.7 mm? -114.28 170.1 8.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.527 ' OD1' ' ND2' ' A' ' 35' ' ' ASN . 22.5 m-80 -110.79 121.34 45.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.84 HD12 ' SG ' ' A' ' 37' ' ' CYS . 0.6 OUTLIER -114.84 155.82 26.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -129.5 139.51 51.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -141.99 109.48 5.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 67.98 -72.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' LYS . 3.3 mttt -162.74 41.43 0.11 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -133.63 100.19 4.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.1 t -85.03 97.96 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -81.85 104.01 11.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.527 ' ND2' ' OD1' ' A' ' 26' ' ' ASN . 11.8 m120 -93.59 147.56 22.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.486 ' CE1' ' HA2' ' A' ' 109' ' ' GLY . 75.5 m-70 56.79 44.42 23.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.098 . . . . 0.0 109.566 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.84 ' SG ' HD12 ' A' ' 27' ' ' LEU . 29.7 p -117.32 169.71 9.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 108.323 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.913 HD22 HG21 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -115.39 -149.47 0.45 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.362 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.588 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.4 p -156.25 129.55 8.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.413 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -38.66 -56.18 2.07 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.544 1.153 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.449 ' O ' ' NH2' ' A' ' 56' ' ' ARG . 4.8 t -62.06 -61.22 2.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 0.784 . . . . 0.0 109.993 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -39.75 -46.93 3.07 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.792 ' HA ' HD11 ' A' ' 22' ' ' ILE . 75.4 t -50.49 -58.1 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.62 HG23 ' HA3' ' A' ' 59' ' ' GLY . 56.3 mt -63.88 -26.02 39.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.539 ' N ' HH21 ' A' ' 56' ' ' ARG . 0.9 OUTLIER -70.15 -47.23 62.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.505 ' CG ' HG13 ' A' ' 22' ' ' ILE . 80.8 t90 -59.86 -29.03 68.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 108.003 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.904 HD23 HD12 ' A' ' 52' ' ' LEU . 84.2 mt -68.5 -52.76 28.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 49.3 t -68.77 -37.32 77.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.35 -51.29 62.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.983 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.438 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 9.7 m-80 -80.86 -20.83 41.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 8.8 mmtt 84.33 58.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.904 HD12 HD23 ' A' ' 47' ' ' LEU . 12.2 mt -93.01 -22.03 19.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.422 ' HB ' ' CB ' ' A' ' 58' ' ' GLU . 34.1 m -131.79 -178.1 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -96.72 -29.44 13.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -152.98 155.31 36.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.539 HH21 ' N ' ' A' ' 45' ' ' ASP . 4.2 mtp180 -43.13 -43.13 4.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 110.346 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.1 tm0? -44.79 -63.19 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.422 ' CB ' ' HB ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -46.08 -49.81 15.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.259 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.62 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -54.48 -44.54 77.68 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.554 1.159 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.602 HD11 ' O ' ' A' ' 91' ' ' PHE . 14.3 tp -55.08 -63.68 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 31.6 mtm -45.87 -51.03 13.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 65' ' ' SER . 9.5 mm -57.22 -55.97 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.072 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 91' ' ' PHE . 58.4 m -38.44 -53.84 1.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.014 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.5 ' HB1' ' HD2' ' A' ' 90' ' ' PRO . . . -47.9 -47.68 31.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.2 OUTLIER -56.87 -36.93 70.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.958 ' CD1' HD21 ' A' ' 11' ' ' LEU . 17.7 mt -69.6 -58.03 4.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.542 1.152 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.675 HD12 ' O ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -50.06 -59.4 3.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.2 OUTLIER -39.5 -68.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.997 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -38.41 -32.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.334 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 107.38 26.13 5.79 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.534 1.147 . . . . 0.0 110.98 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.494 ' CD1' ' CG ' ' A' ' 12' ' ' TYR . 27.8 m-85 -85.01 -23.9 28.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 111.038 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.675 ' O ' HD12 ' A' ' 67' ' ' LEU . 10.7 mt -129.32 110.36 11.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.514 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . 30.0 mm-40 -73.53 130.6 83.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -74.99 129.12 12.06 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.538 1.81 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.704 ' HB2' ' HE2' ' A' ' 100' ' ' TYR . . . -133.55 163.34 29.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.35 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.47 -123.91 6.98 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -141.41 -56.17 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 0.768 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.475 ' CD1' ' HB3' ' A' ' 96' ' ' ASP . 3.4 mt -41.24 -78.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 109.292 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.664 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -38.07 -64.28 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 81' ' ' ASN . 0.4 OUTLIER -42.55 -63.37 0.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 80' ' ' LYS . 0.4 OUTLIER -38.61 -32.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 79' ' ' SER . . . -75.37 -59.95 2.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -44.56 -26.76 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.412 ' N ' ' C ' ' A' ' 82' ' ' ALA . 0.4 OUTLIER -56.34 -60.42 3.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 161.44 62.9 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.592 HG22 ' N ' ' A' ' 87' ' ' ALA . 3.7 mm -81.56 -75.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.592 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -142.04 -144.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.09 12.67 27.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -136.42 93.7 14.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.5 ' HD2' ' HB1' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -75.01 -23.99 13.23 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.479 1.778 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.602 ' O ' HD11 ' A' ' 60' ' ' LEU . 5.2 t80 -84.48 127.27 33.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.637 HD12 ' N ' ' A' ' 92' ' ' LEU . 2.5 mp -104.37 125.62 50.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 93' ' ' ASP . 21.5 t0 -69.87 59.16 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -148.1 142.17 16.24 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.983 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.613 ' O ' ' CE1' ' A' ' 98' ' ' PHE . 18.3 Cg_endo -74.97 1.24 7.94 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.519 1.8 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.608 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 3.4 m-20 -83.05 -54.93 4.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.529 ' HB1' ' HB2' ' A' ' 79' ' ' SER . . . -42.08 -32.32 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.613 ' CE1' ' O ' ' A' ' 95' ' ' PRO . 22.1 m-85 56.78 156.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.638 ' CE1' HD13 ' A' ' 67' ' ' LEU . 6.9 m-85 -169.0 131.76 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.704 ' HE2' ' HB2' ' A' ' 75' ' ' ALA . 36.7 p90 -135.37 149.83 49.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.78 ' CE1' HD11 ' A' ' 38' ' ' LEU . 14.6 m-85 -68.62 141.71 93.24 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 75.67 3.65 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.7 t70 178.65 -37.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.32 -84.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.98 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 39.06 -158.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 71.27 5.08 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.482 1.78 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 39.7 t -120.94 -49.67 2.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.976 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.0 m 169.91 -66.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.983 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.486 ' HA2' ' CE1' ' A' ' 36' ' ' HIS . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.4 p -66.33 95.09 0.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 0.761 . . . . 0.0 110.006 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.3 t -128.46 108.98 10.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.72 -147.47 14.74 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.144 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.06 129.6 9.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.988 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.13 -61.43 2.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.956 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.49 -63.76 3.23 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.541 ' HA ' HD23 ' A' ' 11' ' ' LEU . 38.8 mt -52.02 -58.57 6.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -36.87 -72.09 0.17 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.96 -43.94 6.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 0.768 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.772 ' CD2' HD21 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -60.39 -55.08 37.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.599 ' CD2' ' CD1' ' A' ' 71' ' ' TYR . 18.6 t80 -52.25 -45.36 65.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.8 mt -52.69 -38.19 60.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.32 -43.88 69.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.016 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 10.6 mtt -53.27 -19.21 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.962 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -72.48 -39.46 67.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.491 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 2.4 t70 -58.38 112.42 4.89 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.01 9.42 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.542 1.812 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -118.84 -54.59 2.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.44 17.51 18.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -138.0 -155.9 6.98 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.411 1.069 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.829 HG21 HD13 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -75.19 142.76 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 109.332 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.488 ' HD3' ' N ' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -93.65 138.8 31.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.171 . . . . 0.0 109.327 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.545 ' HA ' HD23 ' A' ' 38' ' ' LEU . 1.3 pt-20 -109.79 96.62 6.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.335 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.21 155.14 19.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -86.72 130.39 34.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.823 HD12 ' SG ' ' A' ' 37' ' ' CYS . 6.6 mt -125.87 133.81 51.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.481 ' HB2' HG22 ' A' ' 33' ' ' VAL . 20.0 tt0 -111.71 94.32 4.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 31' ' ' LYS . 16.0 tttp -81.35 99.72 8.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.83 -78.71 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 29' ' ' LYS . 28.6 mmtp -140.64 24.84 2.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.91 94.23 4.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.481 HG22 ' HB2' ' A' ' 28' ' ' GLU . 54.9 t -83.49 85.25 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -76.35 104.11 6.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -87.27 131.98 34.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 74.15 44.89 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.63 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.823 ' SG ' HD12 ' A' ' 27' ' ' LEU . 20.1 p -112.21 160.11 17.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 108.313 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.829 HD13 HG21 ' A' ' 22' ' ' ILE . 8.1 mt -117.82 -145.2 0.38 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.934 ' O ' HG23 ' A' ' 43' ' ' VAL . 2.3 p -159.62 133.97 7.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -46.08 -50.88 11.87 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.464 1.102 . . . . 0.0 111.051 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.421 ' OG ' ' N ' ' A' ' 42' ' ' GLY . 0.8 OUTLIER -64.56 -60.57 2.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 109.998 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.421 ' N ' ' OG ' ' A' ' 41' ' ' SER . . . -47.65 -37.74 14.17 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 111.039 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.934 HG23 ' O ' ' A' ' 39' ' ' THR . 71.0 t -59.12 -45.11 92.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 109.245 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.689 ' HA ' HD12 ' A' ' 47' ' ' LEU . 49.7 mt -76.3 -26.31 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -65.11 -44.24 89.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.528 ' CG ' HG13 ' A' ' 22' ' ' ILE . 78.7 t90 -62.8 -33.15 74.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 107.985 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.908 HD23 HD12 ' A' ' 52' ' ' LEU . 44.2 mt -63.73 -53.32 52.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 40.5 t -68.56 -44.66 82.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 44.2 p -44.93 -54.22 6.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.426 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 9.4 m-80 -78.81 -20.99 48.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 3.9 mmtt 82.69 60.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.908 HD12 HD23 ' A' ' 47' ' ' LEU . 12.9 mt -92.56 -20.86 20.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.427 ' HB ' ' CB ' ' A' ' 58' ' ' GLU . 29.4 m -130.28 -174.1 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.4 mtt180 -93.24 -24.51 18.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.36 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.436 ' OD1' ' CB ' ' A' ' 57' ' ' GLN . 1.1 p30 -165.05 178.77 6.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -38.53 81.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.436 ' CB ' ' OD1' ' A' ' 55' ' ' ASN . 5.3 tm0? -49.67 -66.61 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.427 ' CB ' ' HB ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -41.8 -50.82 4.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.272 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.416 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -54.98 -51.46 53.51 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.429 HD23 ' HB2' ' A' ' 93' ' ' ASP . 0.5 OUTLIER -45.3 -46.23 12.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.776 . . . . 0.0 109.308 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 18.1 mtm -69.0 -58.14 4.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 65' ' ' SER . 4.8 mm -49.92 -52.51 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.552 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 3.9 m -40.11 -49.41 2.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.035 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -53.94 -46.27 71.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -57.09 -35.86 69.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.97 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.772 HD21 ' CD2' ' A' ' 11' ' ' LEU . 29.1 mt -68.01 -56.52 8.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.609 HD12 ' O ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -55.06 -59.25 5.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -38.69 -65.48 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.927 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -40.29 -37.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 113.52 18.02 7.28 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.599 ' CD1' ' CD2' ' A' ' 12' ' ' TYR . 31.1 m-85 -78.14 -15.88 58.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.766 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.609 ' O ' HD12 ' A' ' 67' ' ' LEU . 16.1 mt -139.69 119.49 13.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -91.33 143.44 28.26 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.62 36.88 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.522 1.801 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.38 114.07 4.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 128.19 -117.55 2.59 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -140.78 -60.32 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 109.321 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.8 mp -41.42 -73.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.589 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 2.6 p -42.16 -51.98 4.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.024 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -51.11 -64.54 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.413 ' O ' ' CB ' ' A' ' 84' ' ' ASP . 0.3 OUTLIER -44.79 -44.44 9.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.838 ' HA ' HD12 ' A' ' 86' ' ' ILE . . . -51.98 -63.54 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -42.9 -40.63 3.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.413 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 6.8 t0 -48.52 -44.77 36.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.466 ' O ' ' HB ' ' A' ' 86' ' ' ILE . . . 164.34 -86.03 0.1 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.838 HD12 ' HA ' ' A' ' 82' ' ' ALA . 9.7 mt 70.37 -53.1 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.774 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -166.51 -132.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.54 15.38 20.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -137.46 107.04 8.49 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.709 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 18.5 Cg_endo -74.89 -44.45 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.468 1.773 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.552 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 2.5 t80 -66.56 145.01 56.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 94' ' ' SER . 51.6 mt -125.42 112.02 15.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.429 ' HB2' HD23 ' A' ' 60' ' ' LEU . 9.4 t70 -67.86 70.22 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -145.89 147.39 32.19 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.972 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -10.21 21.04 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.468 1.773 . . . . 0.0 110.978 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.479 ' O ' ' CZ ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -74.24 -45.79 45.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.31 130.28 42.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.479 ' CZ ' ' O ' ' A' ' 96' ' ' ASP . 12.9 m-85 -118.11 137.48 52.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.077 . . . . 0.0 111.032 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.501 ' CE1' HD13 ' A' ' 67' ' ' LEU . 51.6 m-85 -134.71 150.71 50.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.494 ' CD2' ' HA3' ' A' ' 105' ' ' GLY . 31.1 p90 -140.81 152.71 45.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.524 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 32.2 m-85 -71.65 146.11 90.69 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 75.95 3.55 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.539 1.81 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 177.38 -39.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 105' ' ' GLY . 0.6 OUTLIER -95.86 -76.77 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.025 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.494 ' HA3' ' CD2' ' A' ' 100' ' ' TYR . . . 37.71 -155.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.463 1.102 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -37.2 2.12 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.522 1.801 . . . . 0.0 110.981 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 7.8 m -63.54 90.75 0.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.977 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.92 -61.93 1.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.014 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.101 . . . . 0.0 110.995 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t -83.81 118.73 24.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.76 . . . . 0.0 110.005 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 m -142.46 148.86 38.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.05 -111.6 0.47 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.18 123.12 49.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.76 . . . . 0.0 110.014 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -42.51 156.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.987 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.83 -60.05 4.67 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.458 ' O ' ' C ' ' A' ' 9' ' ' GLY . 46.9 mt -57.01 -61.26 2.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 0.725 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -33.09 -72.6 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.451 1.094 . . . . 0.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.08 -43.49 14.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.884 HD13 ' N ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -60.62 -54.34 46.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.266 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.884 ' N ' HD13 ' A' ' 11' ' ' LEU . 20.4 t80 -52.97 -45.72 67.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.4 mt -50.17 -42.45 51.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -62.27 -57.35 11.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 109.969 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.961 ' SD ' HD12 ' A' ' 22' ' ' ILE . 3.9 mmt -37.55 -40.92 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -52.65 -50.1 63.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.511 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.6 t70 -49.94 119.3 9.93 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -5.8 17.25 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.503 1.791 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -115.94 -53.78 2.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 mttp -93.1 12.72 23.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.511 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -140.43 -155.09 6.42 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.129 . . . . 0.0 111.024 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.961 HD12 ' SD ' ' A' ' 15' ' ' MET . 0.1 OUTLIER -72.34 159.2 5.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 0.766 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.58 -175.99 6.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.641 ' C ' HD22 ' A' ' 25' ' ' LEU . 32.3 mt-10 -149.53 104.0 3.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.642 HD22 ' N ' ' A' ' 25' ' ' LEU . 1.4 mm? -113.42 165.59 12.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -96.23 91.42 5.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.709 HD12 ' HB3' ' A' ' 37' ' ' CYS . 15.7 mt -79.62 106.57 11.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.468 ' CG ' ' HB ' ' A' ' 33' ' ' VAL . 54.3 tt0 -115.86 106.77 14.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.519 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 14.3 tttp -156.66 132.16 9.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.519 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 3.5 t0 82.94 29.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.13 58.92 1.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.278 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 28' ' ' GLU . 0.7 OUTLIER -176.61 122.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.468 ' HB ' ' CG ' ' A' ' 28' ' ' GLU . 2.0 p -111.01 112.63 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.571 ' CE1' ' HB1' ' A' ' 75' ' ' ALA . 19.8 m-85 -91.76 102.18 14.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -75.03 127.02 32.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 76.48 37.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.621 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 1.023 ' O ' HD23 ' A' ' 38' ' ' LEU . 0.8 OUTLIER -102.46 172.26 6.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 108.298 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.023 HD23 ' O ' ' A' ' 37' ' ' CYS . 1.0 OUTLIER -139.37 -154.19 0.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.894 ' O ' HG13 ' A' ' 43' ' ' VAL . 13.2 p -158.23 139.41 13.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.415 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.78 -29.0 32.5 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.8 t -80.63 -43.8 19.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 110.0 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.38 -50.62 20.49 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.894 HG13 ' O ' ' A' ' 39' ' ' THR . 15.1 m -43.24 -55.2 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 0.785 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.568 ' N ' HG23 ' A' ' 43' ' ' VAL . 72.9 mt -57.31 -45.3 85.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -47.15 -40.93 16.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.605 ' CE3' ' SD ' ' A' ' 15' ' ' MET . 79.6 t90 -70.41 -35.88 73.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 108.03 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' A' ' 44' ' ' ILE . 96.2 mt -61.78 -49.84 74.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 51' ' ' LYS . 58.3 t -71.15 -46.2 67.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.19 -49.64 6.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.034 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.466 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 15.2 m-80 -78.49 -24.27 45.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.466 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 8.3 mmtt 86.27 44.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 52' ' ' LEU . 10.2 mt -73.39 -33.52 65.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.4 m -117.93 -172.55 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -100.93 -26.68 13.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.286 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -147.96 172.81 13.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.565 ' HD2' HG22 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -64.15 -42.82 96.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 60' ' ' LEU . 4.3 tt0 -51.17 -64.82 0.69 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 57' ' ' GLN . 1.1 tt0 -38.69 -50.14 1.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.31 -43.08 75.45 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 57' ' ' GLN . 1.2 tm? -53.39 -51.02 63.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 42.6 mtm -60.86 -57.4 12.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.152 . . . . 0.0 111.032 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 50.0 mm -47.59 -49.77 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.577 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 3.1 m -43.52 -54.33 4.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.007 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.89 -45.08 15.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.91 -35.95 73.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.965 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.715 HD21 ' CD1' ' A' ' 11' ' ' LEU . 41.9 mt -70.22 -58.08 4.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.627 HD12 ' O ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -52.99 -58.46 6.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 t -41.11 -64.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.97 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -40.65 -37.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.332 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 112.63 26.5 4.17 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.432 1.082 . . . . 0.0 110.964 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.567 ' CD1' ' CD2' ' A' ' 12' ' ' TYR . 33.4 m-85 -87.87 -15.03 37.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.627 ' O ' HD12 ' A' ' 67' ' ' LEU . 17.0 mt -138.78 118.83 13.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.409 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 30.7 mm-40 -92.01 141.89 25.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.331 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.98 146.31 32.56 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.801 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.571 ' HB1' ' CE1' ' A' ' 34' ' ' PHE . . . -130.29 100.07 5.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 125.53 -163.27 19.56 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.536 1.148 . . . . 0.0 110.994 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.51 -34.54 10.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 0.784 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.37 -61.9 2.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.0 p -55.47 -19.47 9.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.956 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.0 -63.77 1.34 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -41.31 -49.42 3.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 109.258 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.65 ' HB2' HD11 ' A' ' 92' ' ' LEU . . . -52.63 -55.35 23.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.09 49.08 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -134.69 -59.85 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -177.39 34.65 0.08 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.439 HD13 ' HA ' ' A' ' 86' ' ' ILE . 3.2 mm -68.83 -64.17 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.494 0.761 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.434 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -156.22 -142.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.13 -13.97 26.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.276 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -108.52 101.24 42.14 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -20.66 16.62 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.511 1.796 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 1.3 t80 -88.88 142.01 28.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.65 HD11 ' HB2' ' A' ' 82' ' ' ALA . 67.7 mt -120.14 109.03 14.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.42 ' OD1' ' NH1' ' A' ' 56' ' ' ARG . 14.7 t0 -68.69 67.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -141.12 149.05 54.19 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.038 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -9.98 21.08 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.494 1.786 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.572 ' O ' ' CE2' ' A' ' 98' ' ' PHE . 2.5 m-20 -76.71 -48.82 17.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.403 ' O ' ' HA ' ' A' ' 39' ' ' THR . . . -61.53 132.54 53.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.583 ' HD1' HD13 ' A' ' 27' ' ' LEU . 27.4 m-85 -118.38 143.72 46.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.538 ' CE1' HD13 ' A' ' 67' ' ' LEU . 36.8 m-85 -140.8 148.58 40.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -141.8 145.29 34.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 111.045 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.548 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 18.2 m-85 -65.27 143.05 98.69 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 101' ' ' PHE . 18.3 Cg_endo -75.02 76.84 3.29 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.452 1.764 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.9 t70 176.24 -38.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.34 -82.88 0.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.984 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 46.68 -160.9 0.24 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.46 ' O ' ' CB ' ' A' ' 107' ' ' SER . 18.4 Cg_endo -75.04 162.03 37.69 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.521 1.801 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 106' ' ' PRO . 0.3 OUTLIER 82.24 143.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 49.1 p -114.84 -59.69 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.001 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.115 . . . . 0.0 111.014 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.8 p -41.92 -50.8 4.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 110.025 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.29 174.12 10.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.092 . . . . 0.0 110.048 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.19 101.53 0.33 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.56 1.162 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.1 m -164.28 -55.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 0.743 . . . . 0.0 109.986 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.69 78.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.992 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.95 -64.07 0.58 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.459 ' HA ' HD23 ' A' ' 11' ' ' LEU . 66.5 mt -59.86 -58.66 7.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 0.746 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -36.73 -72.26 0.16 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.24 -46.69 6.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 0.782 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.734 HD21 HD11 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -58.34 -55.51 34.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.583 ' CD2' ' CD1' ' A' ' 71' ' ' TYR . 21.4 t80 -52.72 -45.84 67.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.515 HD23 ' HE3' ' A' ' 16' ' ' LYS . 45.5 mt -52.47 -35.32 52.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.46 -47.98 62.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.995 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.5 mtt -50.63 -20.55 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.515 ' HE3' HD23 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -73.54 -34.76 65.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.425 ' HB3' ' N ' ' A' ' 21' ' ' GLY . 1.6 t70 -61.74 117.96 33.53 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -2.27 12.31 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -121.23 -53.09 2.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 110.309 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.17 22.66 8.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.425 ' N ' ' HB3' ' A' ' 17' ' ' ASP . . . -141.52 -156.27 6.75 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.564 1.165 . . . . 0.0 111.052 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.802 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -69.06 159.14 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.455 0.738 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.471 ' HB3' HD21 ' A' ' 25' ' ' LEU . 1.3 mmtt -82.43 -176.34 6.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.536 ' O ' HD13 ' A' ' 25' ' ' LEU . 31.9 mt-10 -152.45 102.81 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.675 HD22 ' N ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -122.75 161.85 23.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.448 ' OD1' ' ND2' ' A' ' 35' ' ' ASN . 2.5 m-80 -97.83 118.32 34.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.562 HD13 ' CE1' ' A' ' 98' ' ' PHE . 3.9 mt -109.72 118.85 37.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -104.59 100.09 9.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.326 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -97.75 -91.15 0.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.426 ' C ' ' N ' ' A' ' 32' ' ' LYS . 1.0 OUTLIER -91.86 81.96 5.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER 40.01 30.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 109.329 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.426 ' N ' ' C ' ' A' ' 30' ' ' ASP . 5.6 mtpt -118.8 110.08 16.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 33' ' ' VAL . 79.6 t -87.91 77.41 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.402 ' CZ ' ' HB3' ' A' ' 32' ' ' LYS . 70.0 m-85 -71.19 101.54 2.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.448 ' ND2' ' OD1' ' A' ' 26' ' ' ASN . 8.5 m120 -89.97 157.89 17.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 41.77 50.78 4.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.593 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 99.3 m -123.11 161.14 24.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 108.281 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.724 HD22 ' CG2' ' A' ' 22' ' ' ILE . 0.4 OUTLIER -119.41 -151.56 0.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.526 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.4 t -172.42 148.47 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.532 ' HA2' ' CE1' ' A' ' 91' ' ' PHE . . . -36.6 -54.56 1.36 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 42' ' ' GLY . 3.3 t -59.8 -74.64 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 0.783 . . . . 0.0 109.993 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 41' ' ' SER . . . -35.97 -46.37 0.92 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.105 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.802 ' HA ' HD11 ' A' ' 22' ' ' ILE . 55.7 t -54.69 -64.29 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.91 ' HA ' HD12 ' A' ' 47' ' ' LEU . 48.3 mt -58.06 -38.15 65.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.452 ' O ' ' CB ' ' A' ' 49' ' ' SER . 8.5 t0 -52.79 -41.37 64.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.535 ' CG ' HG13 ' A' ' 22' ' ' ILE . 80.5 t90 -65.36 -39.36 92.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 108.017 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.939 HD23 HD12 ' A' ' 52' ' ' LEU . 23.0 mt -60.73 -59.7 4.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.405 ' O ' ' CE ' ' A' ' 51' ' ' LYS . 73.7 t -62.42 -42.41 95.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 45' ' ' ASP . 3.2 m -48.5 -54.35 14.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -82.43 -16.05 50.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' LEU . 3.1 mmtp 78.84 63.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.939 HD12 HD23 ' A' ' 47' ' ' LEU . 14.2 mt -92.88 -11.26 33.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.415 ' HB ' ' CB ' ' A' ' 58' ' ' GLU . 6.0 m -138.52 -173.27 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -92.43 -24.27 18.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -163.57 172.83 13.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.458 ' HG3' HG21 ' A' ' 44' ' ' ILE . 1.3 tpt180 -54.92 -42.64 72.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.268 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 60' ' ' LEU . 5.8 tm0? -48.89 -65.72 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.415 ' CB ' ' HB ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -40.23 -49.69 2.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.092 . . . . 0.0 110.276 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -55.7 -43.56 86.48 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.5 OUTLIER -52.84 -51.71 59.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 109.302 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.9 mtm -62.75 -52.79 61.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 65' ' ' SER . 7.5 mm -55.31 -52.11 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.561 ' HB3' ' CD2' ' A' ' 91' ' ' PHE . 12.6 m -40.05 -49.1 2.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 110.011 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.24 -48.43 62.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -52.46 -38.9 60.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.048 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.734 HD11 HD21 ' A' ' 11' ' ' LEU . 27.9 mt -69.69 -54.87 11.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.629 HD22 ' O ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -54.19 -59.57 4.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.52 ' N ' HD13 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -39.26 -67.32 0.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 68' ' ' SER . 35.0 mm-40 -38.07 -32.95 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 108.95 2.04 31.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.137 . . . . 0.0 110.95 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.583 ' CD1' ' CD2' ' A' ' 12' ' ' TYR . 27.5 m-85 -58.01 -15.66 9.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 0.788 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.9 mt -134.61 131.43 37.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -102.33 131.85 22.08 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.234 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 144.86 30.72 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.447 1.761 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -132.58 128.8 37.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 114.01 -99.38 0.96 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.432 1.083 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -171.8 -46.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.759 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 81' ' ' ASN . 0.4 OUTLIER -44.84 -87.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.611 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 0.7 OUTLIER -39.36 -31.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.96 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.416 ' N ' ' C ' ' A' ' 78' ' ' LEU . 0.1 OUTLIER -63.48 -54.46 36.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 78' ' ' LEU . 32.8 m-20 -50.39 -23.67 2.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 79' ' ' SER . . . -73.68 -50.92 18.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.6 27.48 2.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -99.4 -20.08 16.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 86' ' ' ILE . . . 152.93 -20.28 0.76 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.483 HD13 ' HA ' ' A' ' 86' ' ' ILE . 3.5 mm -39.38 -58.55 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 0.787 . . . . 0.0 109.261 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 86' ' ' ILE . . . 70.49 -179.06 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.519 ' O ' ' CB ' ' A' ' 89' ' ' ASN . 0.1 OUTLIER 78.37 -8.28 1.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 88' ' ' GLU . 0.8 OUTLIER 154.0 87.45 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.529 ' HA ' ' HB1' ' A' ' 82' ' ' ALA . 18.4 Cg_endo -75.02 -16.75 20.0 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.56 1.821 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.575 ' C ' HD12 ' A' ' 92' ' ' LEU . 4.5 t80 -99.46 127.65 45.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.686 HD12 ' N ' ' A' ' 92' ' ' LEU . 1.3 mp -102.78 116.32 32.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -74.9 59.51 0.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.61 155.0 78.58 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.966 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 0.42 8.91 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.482 1.78 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -87.59 -64.32 1.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -45.63 103.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.562 ' CE1' HD13 ' A' ' 27' ' ' LEU . 24.1 m-85 -101.2 127.53 47.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 79' ' ' SER . 34.1 m-85 -123.28 155.95 36.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -143.92 145.05 32.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.612 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 23.6 m-85 -62.71 148.99 90.27 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 2.19 6.88 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -126.15 26.36 6.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 101' ' ' PHE . 0.3 OUTLIER -177.98 155.97 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.02 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 157.11 -150.77 22.02 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -52.7 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.495 1.787 . . . . 0.0 111.033 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.2 p 67.29 116.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.011 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.68 -83.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.962 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.55 -56.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 0.76 . . . . 0.0 109.972 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.08 167.99 2.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.005 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.419 ' O ' ' CB ' ' A' ' 5' ' ' SER . . . -70.53 123.59 11.81 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 0.1 OUTLIER 165.89 -43.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 0.733 . . . . 0.0 109.957 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 52.02 67.91 0.89 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.022 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.06 -70.33 0.38 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.56 1.162 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.433 HD22 ' CD2' ' A' ' 66' ' ' LEU . 26.4 mt -53.94 -48.36 70.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 0.753 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.484 ' O ' ' CD1' ' A' ' 13' ' ' LEU . . . -35.58 -78.6 0.04 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -41.25 -45.23 2.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 0.751 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.856 ' O ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -57.44 -52.82 63.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.771 ' N ' HD13 ' A' ' 11' ' ' LEU . 25.9 t80 -55.64 -46.53 77.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.484 ' CD1' ' O ' ' A' ' 9' ' ' GLY . 8.0 mp -48.04 -39.07 18.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.17 -53.38 38.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.023 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.511 ' HG2' ' CZ3' ' A' ' 46' ' ' TRP . 14.5 mtp -44.47 -25.35 0.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 110.958 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.76 -47.69 71.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.512 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 2.3 t0 -50.76 115.8 6.24 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -2.37 12.45 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.48 1.779 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -117.37 -54.75 2.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.283 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -94.33 12.41 27.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.512 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -140.36 -155.73 6.64 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.75 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -68.68 157.43 6.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 0.775 . . . . 0.0 109.26 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.41 ' O ' HG23 ' A' ' 22' ' ' ILE . 1.7 mttt -86.98 179.04 6.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -146.67 103.79 3.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.325 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.22 164.56 15.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -101.27 116.72 33.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.4 mt -112.93 177.83 4.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.11 173.07 12.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.9 tptt -144.61 -67.16 0.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.37 -62.26 1.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.6 pttm -166.93 44.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.36 101.61 4.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.5 t -65.26 87.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -70.51 104.12 2.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -87.52 158.05 19.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 42.73 74.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.617 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.499 ' C ' HD23 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -139.19 168.78 19.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 108.296 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.757 ' O ' HG23 ' A' ' 39' ' ' THR . 2.2 mt -123.21 -153.6 0.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.757 HG23 ' O ' ' A' ' 38' ' ' LEU . 1.6 p -161.66 135.23 6.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 110.46 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -37.23 -48.03 1.5 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.41 -46.89 59.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 0.752 . . . . 0.0 110.003 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.54 -52.38 50.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.75 ' HA ' HD11 ' A' ' 22' ' ' ILE . 76.5 t -43.22 -52.79 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.536 0.786 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.954 ' HA ' HD12 ' A' ' 47' ' ' LEU . 22.9 mt -67.24 -45.6 85.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 49' ' ' SER . 27.3 t0 -40.72 -47.11 2.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.69 ' CZ3' ' CD1' ' A' ' 52' ' ' LEU . 61.6 t90 -60.57 -58.37 8.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.117 . . . . 0.0 108.015 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.954 HD12 ' HA ' ' A' ' 44' ' ' ILE . 4.2 mt -46.18 -44.44 16.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.607 HG21 ' HG2' ' A' ' 56' ' ' ARG . 13.3 t -72.76 -30.76 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 46' ' ' TRP . 0.3 OUTLIER -70.63 -46.75 62.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.005 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.623 ' ND2' ' CD2' ' A' ' 46' ' ' TRP . 6.9 p30 -82.13 -21.77 36.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' LEU . 7.5 mmtt 81.82 36.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.69 ' CD1' ' CZ3' ' A' ' 46' ' ' TRP . 9.3 mt -69.12 -20.03 64.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.43 ' HB ' ' CB ' ' A' ' 58' ' ' GLU . 18.1 m -130.07 -172.68 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.9 mmt-85 -97.38 -26.99 14.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -164.97 159.92 18.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.24 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.607 ' HG2' HG21 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -40.94 -46.39 2.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.1 tm0? -43.92 -63.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.43 ' CB ' ' HB ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -46.28 -49.0 17.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -55.37 -42.31 82.67 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.406 HD23 ' HB2' ' A' ' 93' ' ' ASP . 0.6 OUTLIER -52.95 -50.79 63.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 24.8 mtm -65.2 -51.95 57.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 111.043 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.6 mm -55.33 -43.57 71.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.572 ' HB3' ' CD2' ' A' ' 91' ' ' PHE . 3.7 m -50.05 -51.13 44.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.973 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.97 -46.04 78.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.32 -35.19 67.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.997 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.789 HD21 ' CD1' ' A' ' 11' ' ' LEU . 42.8 mt -72.74 -57.11 4.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.568 HD12 ' O ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -52.63 -55.81 19.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t -39.89 -66.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 109.975 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -41.37 -33.02 0.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 0.0 110.253 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 109.73 21.64 7.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -79.64 -17.59 53.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.568 ' O ' HD12 ' A' ' 67' ' ' LEU . 22.8 mt -132.7 118.83 19.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.519 ' HB2' ' CE2' ' A' ' 100' ' ' TYR . 33.6 mm-40 -92.35 139.82 24.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.36 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -74.97 143.23 28.91 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.448 1.762 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -131.82 105.0 7.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 123.9 -149.69 16.92 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.21 -45.56 3.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.778 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.7 tt -47.3 -71.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.542 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 78.5 p -45.08 -50.42 11.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.031 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -44.43 -59.54 2.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -53.15 -45.1 68.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.682 ' HB1' ' O ' ' A' ' 90' ' ' PRO . . . -49.96 -55.66 13.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.06 54.94 2.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -135.48 -58.9 0.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 176.18 38.23 0.05 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.453 1.096 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.478 HG22 ' N ' ' A' ' 87' ' ' ALA . 4.5 mm -68.05 -68.72 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 0.778 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.478 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -147.25 -145.03 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.301 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.09 9.39 36.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -135.34 110.74 10.65 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.682 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 18.5 Cg_endo -74.96 -31.71 6.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.455 1.766 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 63' ' ' SER . 6.9 t80 -81.8 146.0 30.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.439 ' CD1' ' HB2' ' A' ' 82' ' ' ALA . 60.1 mt -124.61 111.36 15.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.423 ' OD1' ' NH2' ' A' ' 56' ' ' ARG . 24.2 t0 -68.18 70.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -139.19 147.77 54.57 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.014 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -7.13 18.91 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.442 1.759 . . . . 0.0 111.046 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.579 ' O ' ' CE2' ' A' ' 98' ' ' PHE . 5.8 m-20 -82.49 -59.83 2.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -48.49 129.35 16.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.579 ' CE2' ' O ' ' A' ' 96' ' ' ASP . 20.4 m-85 -116.18 146.81 42.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.508 ' CE1' ' HB2' ' A' ' 79' ' ' SER . 62.5 m-85 -148.26 159.92 43.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.519 ' CE2' ' HB2' ' A' ' 73' ' ' GLN . 39.0 p90 -147.99 171.38 15.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 111.051 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.416 ' CE1' HD11 ' A' ' 38' ' ' LEU . 14.0 m-85 -89.92 142.57 29.05 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 71.31 5.08 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.488 1.783 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -177.57 -39.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.18 -74.49 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.968 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 42.8 -160.83 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.116 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 150.33 38.16 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.79 145.7 28.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.026 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.6 102.52 11.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.031 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.963 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -84.51 101.8 12.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.751 . . . . 0.0 110.025 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.9 m -70.58 152.74 43.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.016 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.77 155.53 26.58 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.625 ' HB3' HD12 ' A' ' 8' ' ' LEU . 47.1 t -107.74 29.12 7.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 0.797 . . . . 0.0 109.985 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.19 82.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.99 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.55 -56.34 0.5 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.625 HD12 ' HB3' ' A' ' 5' ' ' SER . 32.8 mt -59.68 -61.36 2.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -34.46 -69.48 0.19 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.36 -41.74 39.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 0.793 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.968 HD13 ' N ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -61.52 -50.03 74.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.968 ' N ' HD13 ' A' ' 11' ' ' LEU . 22.3 t80 -58.12 -48.76 79.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 32.4 mt -45.99 -43.34 14.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -62.26 -59.7 4.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.043 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 8.4 mtt -40.33 -40.1 1.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -45.47 73.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 14' ' ' SER . 0.4 OUTLIER -52.57 119.11 14.56 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.254 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -3.02 13.31 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -121.82 -52.94 1.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -93.27 16.4 13.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.434 ' N ' ' HB3' ' A' ' 17' ' ' ASP . . . -137.35 -152.76 6.2 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.514 1.133 . . . . 0.0 111.027 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.812 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -74.07 157.33 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -74.96 -178.53 3.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -150.55 98.27 2.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.78 165.05 17.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -89.57 131.07 35.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.0 mt -137.65 101.81 4.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.61 155.9 16.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -108.22 -24.96 11.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.5 t0 177.83 83.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.6 mttp 81.66 -52.12 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.5 mttp -61.82 97.13 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.6 t -84.21 127.58 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.541 ' CE1' ' HB1' ' A' ' 75' ' ' ALA . 30.2 m-85 -107.73 101.75 11.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 36' ' ' HIS . 1.6 m-20 -79.38 164.19 24.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 35' ' ' ASN . 80.6 m-70 39.36 64.65 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.605 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.733 ' C ' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -126.0 169.96 12.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.108 . . . . 0.0 108.273 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.755 ' O ' HG23 ' A' ' 39' ' ' THR . 0.8 OUTLIER -127.77 -154.49 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.755 HG23 ' O ' ' A' ' 38' ' ' LEU . 1.4 p -161.63 125.28 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.412 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -46.7 -25.7 2.35 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 t -84.08 -44.37 14.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 0.764 . . . . 0.0 110.008 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.98 -46.46 36.53 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.812 ' HA ' HD11 ' A' ' 22' ' ' ILE . 13.4 m -45.87 -55.32 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.773 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.613 HG22 ' HG2' ' A' ' 56' ' ' ARG . 75.7 mt -55.47 -37.35 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -60.49 -36.23 77.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.535 ' CG ' HG13 ' A' ' 22' ' ' ILE . 83.3 t90 -72.87 -28.61 62.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 107.973 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.479 HD23 HD12 ' A' ' 52' ' ' LEU . 91.9 mt -68.64 -49.05 62.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.0 t -72.46 -37.51 57.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.85 -50.03 61.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.413 ' C ' ' CD ' ' A' ' 51' ' ' LYS . 15.1 m-80 -82.25 -14.36 55.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.413 ' CD ' ' C ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER 76.21 57.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.602 ' CD1' HD23 ' A' ' 11' ' ' LEU . 11.8 mt -88.96 -20.27 24.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 2.4 m -134.39 -173.81 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.5 mtt85 -98.0 -26.93 14.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -149.91 167.49 26.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.613 ' HG2' HG22 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -58.16 -44.5 87.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 110.273 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 60' ' ' LEU . 4.1 tt0 -46.77 -63.44 1.02 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.466 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 1.9 mt-10 -39.33 -48.68 1.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -56.67 -44.52 91.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.571 1.17 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 57' ' ' GLN . 1.2 tm? -51.38 -54.19 29.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.427 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 15.2 mtm -59.7 -56.89 16.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 63' ' ' SER . 32.0 mm -48.05 -55.06 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.582 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 2.7 m -38.1 -53.83 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.952 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 61' ' ' MET . . . -42.91 -53.37 4.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.8 -44.79 59.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.021 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.641 HD11 HD12 ' A' ' 11' ' ' LEU . 2.7 mm? -64.12 -57.07 10.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.577 HD22 ' O ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -50.37 -61.32 2.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.457 ' N ' HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -40.2 -64.71 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.948 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -39.24 -34.04 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.266 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 111.35 -4.12 28.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.445 ' CD1' ' CG ' ' A' ' 12' ' ' TYR . 32.8 m-85 -51.39 -19.98 1.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.3 mt -130.63 123.71 30.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.409 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 76.7 mm-40 -96.36 131.49 28.42 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.99 143.28 28.91 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.532 1.806 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.541 ' HB1' ' CE1' ' A' ' 34' ' ' PHE . . . -132.84 114.78 14.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 126.8 -125.79 5.48 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -140.03 -48.94 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.749 . . . . 0.0 109.268 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.657 ' C ' HD23 ' A' ' 78' ' ' LEU . 4.9 tt -46.04 -70.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.558 ' N ' HD23 ' A' ' 78' ' ' LEU . 6.7 p -48.65 -55.37 11.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.993 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -46.39 -49.54 17.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -64.11 -30.38 71.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 79' ' ' SER . . . -68.86 -25.25 64.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.262 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.13 -24.67 15.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.58 -66.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 171.78 59.91 0.04 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.678 HG22 ' N ' ' A' ' 87' ' ' ALA . 3.7 mm -78.18 -78.75 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.678 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -130.09 -142.44 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.11 -17.54 24.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -109.53 107.6 59.46 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.401 ' HA ' ' O ' ' A' ' 82' ' ' ALA . 18.4 Cg_endo -74.97 -32.5 5.38 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.49 1.784 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 1.3 t80 -78.56 143.88 36.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 94' ' ' SER . 65.5 mt -123.82 109.77 14.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -66.93 71.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -145.67 148.58 37.08 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.025 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 0.78 8.49 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.521 1.8 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.416 ' O ' ' CE1' ' A' ' 98' ' ' PHE . 0.2 OUTLIER -89.23 -52.03 5.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.24 106.15 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.416 ' CE1' ' O ' ' A' ' 96' ' ' ASP . 17.8 m-85 -94.84 148.68 22.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 38' ' ' LEU . 59.8 m-85 -149.56 150.03 31.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -140.4 148.74 41.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 110.972 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.474 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 26.1 m-85 -66.98 151.08 97.49 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 60.84 5.54 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.453 1.765 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -177.57 -39.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.2 t -107.07 139.69 41.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 156.36 -156.42 27.1 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 156.69 42.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 m 178.27 103.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.998 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.86 -49.79 10.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.02 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.3 p -149.88 81.91 1.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 109.997 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.1 p -148.71 151.95 35.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.963 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.07 -57.27 1.85 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.13 . . . . 0.0 110.966 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.8 p -39.34 -49.64 1.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 0.736 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.0 p 44.05 70.27 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.013 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.24 -64.68 0.44 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.734 HD22 ' CD2' ' A' ' 66' ' ' LEU . 64.3 mt -61.0 -55.19 35.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 0.789 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -34.51 -74.38 0.08 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.617 ' HA ' HD12 ' A' ' 13' ' ' LEU . . . -43.51 -43.45 5.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.763 HD11 ' SD ' ' A' ' 15' ' ' MET . 0.8 OUTLIER -61.2 -50.49 72.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 13' ' ' LEU . 54.8 t80 -59.44 -50.61 73.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.617 HD12 ' HA ' ' A' ' 10' ' ' ALA . 59.5 mt -36.26 -40.92 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.464 ' O ' ' HA3' ' A' ' 21' ' ' GLY . 0.4 OUTLIER -73.1 -63.54 1.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.025 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.763 ' SD ' HD11 ' A' ' 11' ' ' LEU . 86.5 mtp -49.45 -23.65 1.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.961 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.415 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -92.1 25.29 2.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.498 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 0.6 OUTLIER -124.15 117.92 26.8 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 1.47 7.71 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.529 1.805 . . . . 0.0 110.962 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -110.52 -54.91 2.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.6 mmtt -115.76 32.92 5.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.498 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -140.72 -163.99 9.74 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.888 ' CG2' HD22 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -60.69 164.2 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.522 0.777 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.477 ' N ' HG23 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -98.57 147.49 24.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -108.48 125.53 51.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 mt -138.23 154.74 49.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -83.1 136.87 34.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.713 HD13 ' CD1' ' A' ' 98' ' ' PHE . 39.9 mt -131.43 104.15 6.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.495 ' CG ' ' HB ' ' A' ' 33' ' ' VAL . 29.6 tt0 -110.93 127.89 55.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.427 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 11.1 tttp -155.21 142.07 19.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER 76.78 -69.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.8 mttp 176.31 55.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 28' ' ' GLU . 0.2 OUTLIER -171.5 121.24 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.495 ' HB ' ' CG ' ' A' ' 28' ' ' GLU . 2.1 p -103.95 100.13 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -77.23 101.25 6.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -68.33 141.45 55.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 51.3 76.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.623 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.473 ' HB3' HD12 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -130.57 170.93 13.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 108.326 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.888 HD22 ' CG2' ' A' ' 22' ' ' ILE . 1.0 OUTLIER -132.16 -152.31 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.962 ' O ' HG13 ' A' ' 43' ' ' VAL . 1.9 p -160.86 137.51 8.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.44 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.62 -27.64 55.15 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.6 t -81.82 -39.21 24.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 0.0 110.024 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.427 ' O ' ' CB ' ' A' ' 45' ' ' ASP . . . -75.74 -47.36 12.07 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.543 1.152 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.962 HG13 ' O ' ' A' ' 39' ' ' THR . 14.1 m -48.02 -55.34 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.558 0.799 . . . . 0.0 109.254 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.694 ' HA ' HD12 ' A' ' 47' ' ' LEU . 77.4 mt -53.75 -31.56 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 42' ' ' GLY . 3.6 t0 -63.83 -44.96 91.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.59 ' CZ3' ' HG2' ' A' ' 15' ' ' MET . 48.4 t90 -65.19 -29.43 70.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 108.022 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.694 HD12 ' HA ' ' A' ' 44' ' ' ILE . 95.7 mt -67.31 -49.79 62.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.44 HG21 ' HG2' ' A' ' 56' ' ' ARG . 55.6 t -72.56 -43.15 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.05 -50.0 15.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.984 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.446 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 14.0 m-80 -78.36 -22.06 48.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 3.5 mmtt 84.6 53.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.486 HD12 HD23 ' A' ' 47' ' ' LEU . 11.9 mt -85.5 -29.79 23.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.49 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 1.9 m -126.41 -172.89 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -96.97 -26.75 14.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -154.56 154.85 33.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.645 ' HD2' HG22 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -45.4 -45.93 13.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.267 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 60' ' ' LEU . 2.4 tt0 -44.24 -62.8 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 0.0 110.339 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.49 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 1.9 mt-10 -42.0 -47.09 4.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -56.54 -40.59 87.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.44 1.088 . . . . 0.0 111.018 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 57' ' ' GLN . 1.2 tm? -52.44 -56.82 12.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 109.374 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 18.9 mtm -58.25 -55.29 36.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 63' ' ' SER . 38.1 mm -50.47 -54.54 8.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 91' ' ' PHE . 3.6 m -37.75 -56.48 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.012 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -41.88 -51.28 4.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -50.34 -41.19 50.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.025 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.734 ' CD2' HD22 ' A' ' 8' ' ' LEU . 1.0 OUTLIER -67.76 -56.39 9.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.478 HD12 ' O ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -53.08 -56.87 12.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -38.68 -67.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.967 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.559 ' HG3' HD12 ' A' ' 8' ' ' LEU . 52.7 mm-40 -40.68 -37.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 114.57 12.05 10.95 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -67.74 -23.45 65.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 0.773 . . . . 0.0 111.018 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.478 ' O ' HD12 ' A' ' 67' ' ' LEU . 27.3 mt -128.38 116.26 19.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.569 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . 29.3 mm-40 -87.29 139.47 32.1 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -75.02 146.33 32.43 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.486 1.782 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -137.38 101.62 4.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.35 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.77 167.55 36.36 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -54.92 -169.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 0.776 . . . . 0.0 109.282 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.5 ' CD2' HD23 ' A' ' 92' ' ' LEU . 0.7 OUTLIER 70.82 -76.03 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.71 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 23.3 m -62.77 -49.72 73.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.028 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -54.2 48.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.441 ' O ' ' CB ' ' A' ' 84' ' ' ASP . 20.1 m120 -48.73 -29.05 4.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.943 ' HA ' HD12 ' A' ' 86' ' ' ILE . . . -65.17 -62.81 1.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.6 -22.92 3.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.441 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 15.7 t0 -47.54 -65.42 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 157.79 42.45 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.472 1.108 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.943 HD12 ' HA ' ' A' ' 82' ' ' ALA . 13.2 mt -63.8 -79.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.515 0.773 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.611 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -136.08 -142.5 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.87 10.4 41.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.297 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -128.43 86.76 56.95 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.247 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.562 ' HA ' ' HB1' ' A' ' 82' ' ' ALA . 18.3 Cg_endo -74.96 -22.66 14.67 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.5 1.789 . . . . 0.0 110.977 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.618 ' C ' HD12 ' A' ' 92' ' ' LEU . 1.4 t80 -83.8 129.33 34.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.984 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.693 HD12 ' N ' ' A' ' 92' ' ' LEU . 1.3 mp -105.48 109.49 21.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -68.03 69.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -147.1 152.64 43.83 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 0.0 109.975 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.432 ' HA ' ' HB ' ' A' ' 39' ' ' THR . 18.4 Cg_endo -74.98 -10.58 21.32 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.521 1.801 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.484 ' O ' ' CE2' ' A' ' 98' ' ' PHE . 0.7 OUTLIER -75.34 -50.36 16.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.602 ' HB1' ' OG ' ' A' ' 79' ' ' SER . . . -62.02 115.82 4.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.713 ' CD1' HD13 ' A' ' 27' ' ' LEU . 16.9 m-85 -104.08 139.89 38.53 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.513 1.133 . . . . 0.0 110.951 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.556 ' CE1' ' HB3' ' A' ' 79' ' ' SER . 36.7 m-85 -139.35 150.01 44.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.569 ' CE1' ' HB2' ' A' ' 73' ' ' GLN . 37.5 p90 -141.38 153.4 45.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.506 ' CZ ' ' O ' ' A' ' 15' ' ' MET . 32.1 m-85 -75.63 143.7 75.85 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 73.38 4.35 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.486 1.782 . . . . 0.0 111.031 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 163.76 -37.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.28 -37.22 11.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.972 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.442 ' HA3' ' CD1' ' A' ' 100' ' ' TYR . . . -63.01 -170.43 1.3 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 145.27 31.18 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.499 1.789 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 51.5 p -78.56 160.14 27.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.98 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.53 149.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.998 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.532 1.145 . . . . 0.0 110.956 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.6 t -118.87 -63.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 109.978 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 m 62.21 127.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 42.99 -165.58 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 7' ' ' GLY . 15.5 m 64.81 46.08 3.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 0.771 . . . . 0.0 110.023 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.69 88.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.0 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 5' ' ' SER . . . 134.69 -86.28 0.26 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.51 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 5.6 mp -39.82 -62.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -34.72 -71.73 0.13 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.438 1.087 . . . . 0.0 110.999 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.02 -51.98 7.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.824 ' CD2' HD11 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -54.31 -56.24 20.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.437 ' N ' ' HG ' ' A' ' 11' ' ' LEU . 27.3 t80 -52.58 -49.63 64.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.6 mt -47.06 -37.07 8.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.54 -47.53 54.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.973 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 11.4 mtt -46.97 -28.28 1.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.55 -40.77 93.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.362 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.508 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 0.4 OUTLIER -57.95 111.89 4.11 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -0.92 10.54 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.476 1.777 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -117.71 -54.68 2.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.293 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -96.57 14.66 24.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.508 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -139.0 -154.36 6.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.608 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -71.42 157.14 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.423 ' O ' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -93.34 -172.53 2.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.884 ' C ' HD13 ' A' ' 25' ' ' LEU . 26.5 mt-10 -138.11 105.12 5.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.884 HD13 ' C ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -113.75 146.59 39.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.935 ' C ' HD13 ' A' ' 27' ' ' LEU . 9.9 p30 -94.88 129.93 41.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.358 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.935 HD13 ' C ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -127.89 145.56 50.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.95 120.65 37.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -103.62 -84.61 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.98 89.06 2.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.345 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt 41.26 32.23 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.5 120.26 32.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.555 HG12 ' OD1' ' A' ' 35' ' ' ASN . 63.8 t -91.58 97.59 7.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.557 ' CE1' ' HB1' ' A' ' 75' ' ' ALA . 49.1 m-85 -82.6 102.28 11.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.555 ' OD1' HG12 ' A' ' 33' ' ' VAL . 9.7 m-20 -96.09 156.41 16.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 46.81 39.3 7.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.602 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 59.8 m -113.2 166.61 11.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.422 1.076 . . . . 0.0 108.343 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.603 HD11 ' CE1' ' A' ' 101' ' ' PHE . 0.7 OUTLIER -115.94 -152.93 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.928 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -153.04 147.08 25.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.369 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -48.26 -52.82 17.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.6 t -67.43 -57.2 6.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 0.762 . . . . 0.0 110.005 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -42.48 -49.01 5.81 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.455 1.097 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.928 HG23 ' O ' ' A' ' 39' ' ' THR . 73.7 t -42.84 -43.4 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.742 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.83 HG21 ' HD2' ' A' ' 56' ' ' ARG . 10.7 mt -79.44 -43.8 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 49' ' ' SER . 38.4 t0 -41.09 -47.82 3.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.698 ' CZ3' ' CD1' ' A' ' 52' ' ' LEU . 61.9 t90 -60.44 -57.21 13.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 108.024 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.566 HD23 ' CD1' ' A' ' 52' ' ' LEU . 32.7 mt -47.86 -43.32 28.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 67.4 t -73.58 -28.77 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.357 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 45' ' ' ASP . 0.3 OUTLIER -73.18 -45.16 58.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.984 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.616 ' ND2' ' CD2' ' A' ' 46' ' ' TRP . 7.6 p30 -84.17 -21.1 31.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' LEU . 3.2 mmtp 81.21 37.5 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.698 ' CD1' ' CZ3' ' A' ' 46' ' ' TRP . 9.5 mt -71.63 -10.89 60.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.512 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 3.8 m -137.39 -171.79 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.5 mtt180 -95.14 -25.82 16.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -167.43 -175.95 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.83 ' HD2' HG21 ' A' ' 44' ' ' ILE . 0.7 OUTLIER -61.3 -38.4 86.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 60' ' ' LEU . 1.2 tm0? -48.41 -66.88 0.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.512 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 6.1 mt-10 -40.45 -51.23 2.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.113 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.748 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -51.47 -39.31 44.42 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.7 OUTLIER -60.57 -48.46 81.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 0.792 . . . . 0.0 109.319 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 34.7 mtm -70.54 -45.99 64.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 65' ' ' SER . 5.0 mm -62.78 -55.07 26.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.566 ' HB3' ' CD2' ' A' ' 91' ' ' PHE . 5.7 m -37.81 -45.05 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.466 ' HB1' ' HD2' ' A' ' 90' ' ' PRO . . . -56.23 -51.75 66.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -51.68 -42.27 62.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.019 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.824 HD11 ' CD2' ' A' ' 11' ' ' LEU . 1.7 mm? -62.59 -56.48 17.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.716 HD12 ' O ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -56.33 -57.65 11.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -37.93 -68.22 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.442 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 33.1 mm-40 -40.94 -39.47 1.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 114.86 26.81 3.45 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.51 ' CE2' ' HB3' ' A' ' 8' ' ' LEU . 27.4 m-85 -87.67 -9.73 53.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 0.737 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.716 ' O ' HD12 ' A' ' 67' ' ' LEU . 14.2 mt -141.94 117.64 10.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.509 ' CB ' ' CZ ' ' A' ' 100' ' ' TYR . 55.7 mm-40 -92.25 136.45 25.7 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -75.05 142.4 27.64 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.473 1.775 . . . . 0.0 110.996 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.557 ' HB1' ' CE1' ' A' ' 34' ' ' PHE . . . -144.4 110.32 5.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 140.61 -102.38 0.32 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.442 1.089 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -166.36 -50.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.4 mp -44.67 -72.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 80.5 p -48.31 -47.04 36.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.945 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -52.21 -44.98 65.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.49 ' O ' ' CB ' ' A' ' 84' ' ' ASP . 1.3 t-20 -58.6 -51.77 68.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.667 ' HB2' HD11 ' A' ' 92' ' ' LEU . . . -56.85 -51.62 68.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.32 -24.31 64.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 3.7 t0 -55.74 -63.53 1.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 169.04 47.29 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.466 1.104 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.702 HG22 ' N ' ' A' ' 87' ' ' ALA . 3.3 mm -67.97 -78.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.702 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -135.93 -143.53 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -88.8 -15.28 35.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.57 103.49 46.64 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.466 ' HD2' ' HB1' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.03 -26.84 10.49 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.49 1.784 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.566 ' CD2' ' HB3' ' A' ' 63' ' ' SER . 3.9 t80 -81.14 149.21 29.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.667 HD11 ' HB2' ' A' ' 82' ' ' ALA . 36.4 mt -126.03 114.09 17.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.45 ' OD1' ' NH2' ' A' ' 56' ' ' ARG . 4.8 t0 -72.65 69.56 0.89 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.95 149.06 67.43 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.001 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -8.47 20.09 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.788 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.594 ' O ' ' CE2' ' A' ' 98' ' ' PHE . 59.7 m-20 -83.41 -54.63 4.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -46.97 131.97 11.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' A' ' 96' ' ' ASP . 78.9 m-85 -120.79 136.0 55.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.403 ' HA ' ' O ' ' A' ' 73' ' ' GLN . 93.8 m-85 -134.14 163.81 28.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.509 ' CZ ' ' CB ' ' A' ' 73' ' ' GLN . 47.4 p90 -158.16 154.9 28.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 111.023 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.603 ' CE1' HD11 ' A' ' 38' ' ' LEU . 12.9 m-85 -76.58 140.87 68.49 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 78.05 2.98 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.507 1.793 . . . . 0.0 110.964 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.7 t70 174.91 -37.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.91 -71.53 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.971 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 40.41 -154.41 0.06 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.555 1.159 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 158.34 42.14 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.799 . . . . 0.0 110.962 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.9 t -131.02 104.18 6.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.7 m 62.71 93.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.02 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.4 t 59.18 112.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 0.769 . . . . 0.0 109.989 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.37 127.79 53.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 110.019 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.74 -148.69 26.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.4 m 62.79 48.31 4.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 0.753 . . . . 0.0 109.975 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.58 98.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.026 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.94 -83.95 0.35 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.446 1.091 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.513 ' O ' ' C ' ' A' ' 9' ' ' GLY . 6.0 mp -41.44 -66.51 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 0.801 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.513 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -28.07 -70.87 0.05 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -48.82 -51.84 27.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 0.765 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.006 ' CD1' HD11 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -54.89 -54.25 44.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.886 ' N ' HD13 ' A' ' 11' ' ' LEU . 35.3 t80 -53.42 -51.89 61.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.539 HD23 ' HE3' ' A' ' 16' ' ' LYS . 24.8 mt -42.99 -38.25 2.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.35 -51.47 44.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.046 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.501 ' HG2' ' CZ3' ' A' ' 46' ' ' TRP . 11.5 mtp -46.94 -24.0 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.539 ' HE3' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -67.09 -45.15 78.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.505 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 2.0 t70 -52.87 116.11 8.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -1.99 11.95 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.534 1.807 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -118.1 -54.56 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -96.0 15.4 20.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.505 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -139.56 -155.07 6.5 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.706 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -68.49 163.65 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 109.311 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' N ' HG23 ' A' ' 22' ' ' ILE . 0.9 OUTLIER -95.65 -172.21 2.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -151.67 96.71 2.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.566 HD22 ' N ' ' A' ' 25' ' ' LEU . 2.3 mm? -100.17 165.27 11.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -100.68 99.45 10.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.633 HD11 HG23 ' A' ' 39' ' ' THR . 10.7 mt -83.99 101.63 11.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.439 ' CG ' ' HB ' ' A' ' 33' ' ' VAL . 21.3 tt0 -108.6 105.79 15.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.2 tttm -153.22 151.91 30.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.8 t0 58.65 39.68 24.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? 54.04 60.44 3.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 28' ' ' GLU . 5.3 mttt -174.64 126.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.253 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.439 ' HB ' ' CG ' ' A' ' 28' ' ' GLU . 1.5 p -117.71 114.58 45.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -92.95 101.6 13.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -77.68 147.72 35.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 54.83 62.72 2.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.621 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.641 ' O ' HD23 ' A' ' 38' ' ' LEU . 96.3 m -138.96 176.51 8.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 108.346 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.698 HD11 ' CE1' ' A' ' 101' ' ' PHE . 0.2 OUTLIER -132.99 -154.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.633 HG23 HD11 ' A' ' 27' ' ' LEU . 1.8 p -158.11 135.82 10.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.421 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.42 ' HA2' ' CE1' ' A' ' 91' ' ' PHE . . . -39.85 -45.12 2.82 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.1 t -72.4 -43.44 63.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 109.996 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.51 -50.24 66.29 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.706 ' HA ' HD11 ' A' ' 22' ' ' ILE . 78.0 t -43.33 -46.31 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 0.789 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.951 ' HA ' HD12 ' A' ' 47' ' ' LEU . 21.2 mt -71.83 -41.26 69.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.583 1.177 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 49' ' ' SER . 54.8 t0 -45.01 -46.38 11.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.627 ' CD2' ' ND2' ' A' ' 50' ' ' ASN . 61.7 t90 -59.58 -57.45 12.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 107.966 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.951 HD12 ' HA ' ' A' ' 44' ' ' ILE . 4.1 mt -45.2 -45.09 11.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.811 HG21 ' HG2' ' A' ' 56' ' ' ARG . 25.0 t -73.41 -31.27 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -69.09 -44.55 72.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.627 ' ND2' ' CD2' ' A' ' 46' ' ' TRP . 6.0 p30 -84.28 -21.76 30.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 4.5 mmtt 82.89 35.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.59 ' CD1' ' CZ3' ' A' ' 46' ' ' TRP . 9.7 mt -69.51 -18.38 63.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.429 ' HB ' ' CB ' ' A' ' 58' ' ' GLU . 27.7 m -131.58 -172.21 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -99.52 -26.65 14.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 110.311 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -160.93 153.58 20.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.811 ' HG2' HG21 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -39.01 -41.34 0.76 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.274 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 60' ' ' LEU . 5.0 tm0? -48.01 -67.41 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 110.295 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.429 ' CB ' ' HB ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -39.63 -50.61 2.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.505 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -53.92 -41.45 67.74 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.471 1.107 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.7 OUTLIER -54.04 -54.75 34.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 35.9 mtm -58.51 -50.58 73.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.4 ' O ' HD23 ' A' ' 66' ' ' LEU . 24.5 mm -58.03 -50.48 77.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.571 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . 21.9 m -40.51 -50.11 2.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.77 -54.7 17.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.162 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.45 -45.0 25.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.01 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 1.006 HD11 ' CD1' ' A' ' 11' ' ' LEU . 2.1 mm? -59.7 -55.03 39.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.846 HD12 ' O ' ' A' ' 72' ' ' LEU . 4.0 tp -56.96 -56.3 23.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.36 -62.27 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.969 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -45.94 -40.94 10.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 116.83 32.84 1.49 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.678 ' CE1' ' CD2' ' A' ' 12' ' ' TYR . 29.6 m-85 -90.9 -27.61 18.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 110.95 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.846 ' O ' HD12 ' A' ' 67' ' ' LEU . 3.0 mm? -116.59 120.58 39.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.534 ' CB ' ' CE1' ' A' ' 100' ' ' TYR . 40.0 mm-40 -97.42 133.36 23.88 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -75.07 136.08 19.78 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -129.95 119.38 23.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 121.46 -86.82 0.4 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.536 1.147 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 170.28 -43.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.586 ' C ' HD23 ' A' ' 78' ' ' LEU . 6.3 tt -40.95 -76.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.708 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 73.7 m -55.87 -44.78 78.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.41 -55.3 5.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.467 ' O ' ' CB ' ' A' ' 84' ' ' ASP . 2.0 m-80 -45.17 -34.63 2.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 79' ' ' SER . . . -57.92 -68.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -42.68 -30.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.467 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 3.0 t70 -54.83 -62.27 1.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 163.9 60.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.519 1.137 . . . . 0.0 110.97 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.677 HG22 ' N ' ' A' ' 87' ' ' ALA . 3.3 mm -76.17 -78.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.677 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -135.53 -144.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.18 6.34 48.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -134.76 105.48 10.7 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.473 ' HB2' ' CD2' ' A' ' 67' ' ' LEU . 18.4 Cg_endo -74.96 -25.89 11.51 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.465 1.771 . . . . 0.0 111.0 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.633 ' C ' HD12 ' A' ' 92' ' ' LEU . 2.5 t80 -86.23 129.66 34.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.69 HD12 ' N ' ' A' ' 92' ' ' LEU . 1.2 mp -105.64 113.6 27.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -72.4 63.78 0.57 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.25 148.71 60.74 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.001 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -10.1 21.04 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.506 1.792 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.583 ' O ' ' CE1' ' A' ' 98' ' ' PHE . 2.8 m-20 -77.86 -31.3 51.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.245 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.569 ' HB1' ' OG ' ' A' ' 79' ' ' SER . . . -73.66 133.69 43.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.583 ' CE1' ' O ' ' A' ' 96' ' ' ASP . 5.6 m-30 -120.35 124.14 44.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -126.83 145.71 50.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.534 ' CE1' ' CB ' ' A' ' 73' ' ' GLN . 22.9 p90 -139.87 147.65 40.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.698 ' CE1' HD11 ' A' ' 38' ' ' LEU . 13.9 m-85 -68.56 136.81 90.63 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 73.65 4.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 30.1 t0 179.97 -37.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.3 -70.03 0.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 41.8 -163.55 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.544 1.153 . . . . 0.0 111.003 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 138.51 23.19 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.543 1.812 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.76 -61.97 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 29.6 m -40.8 -57.25 1.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.489 1.118 . . . . 0.0 110.967 179.944 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.6 t -157.95 161.36 38.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 0.73 . . . . 0.0 109.971 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.7 153.96 23.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.02 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.38 125.99 2.73 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m 56.04 94.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 109.97 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.18 107.56 2.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.957 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.85 -66.08 0.58 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.5 1.125 . . . . 0.0 111.053 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 9' ' ' GLY . 25.7 mt -59.75 -56.78 17.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 0.772 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -36.19 -72.83 0.13 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -42.64 -48.07 5.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 109.317 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.535 ' C ' HD12 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -57.36 -56.31 23.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.598 ' CD2' ' CD1' ' A' ' 71' ' ' TYR . 26.5 t80 -51.93 -47.81 64.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.7 mt -49.89 -40.2 42.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.5 OUTLIER -65.65 -48.58 71.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.95 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.0 mtp -46.71 -24.61 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.0 -39.69 75.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.524 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 0.4 OUTLIER -57.52 112.17 4.37 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -0.8 10.41 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.547 1.814 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -117.04 -54.89 2.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -97.94 15.86 22.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.524 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -141.43 -156.07 6.69 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.554 1.159 . . . . 0.0 111.012 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.655 HD13 HD13 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -69.47 167.46 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.257 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.527 ' N ' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -107.28 -169.91 1.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -141.88 129.94 22.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.316 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mt -139.15 164.72 29.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -90.52 149.23 22.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.475 HD11 HG23 ' A' ' 39' ' ' THR . 23.6 mt -143.14 100.68 3.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.488 ' CG ' ' HB ' ' A' ' 33' ' ' VAL . 40.3 tt0 -108.58 128.17 54.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.423 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -154.2 142.66 20.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.25 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.423 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER 76.18 -69.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.74 54.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 28' ' ' GLU . 3.1 mttt -171.27 124.28 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.488 ' HB ' ' CG ' ' A' ' 28' ' ' GLU . 2.2 p -105.7 108.56 25.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -87.48 102.38 14.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -76.53 147.78 37.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 55.84 72.25 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.607 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.681 ' C ' HD23 ' A' ' 38' ' ' LEU . 4.4 t -142.33 166.66 24.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 108.333 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.687 ' O ' HG23 ' A' ' 39' ' ' THR . 0.5 OUTLIER -115.61 -151.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.687 HG23 ' O ' ' A' ' 38' ' ' LEU . 1.8 p -159.38 130.15 5.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.402 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 39' ' ' THR . . . -37.07 -40.79 0.58 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.2 -44.27 26.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 39' ' ' THR . . . -60.8 -42.41 99.5 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.57 ' HA ' HD11 ' A' ' 22' ' ' ILE . 77.4 t -48.46 -45.37 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.462 0.743 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.932 ' HA ' HD12 ' A' ' 47' ' ' LEU . 9.2 mt -74.38 -41.03 50.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 49' ' ' SER . 19.2 t0 -42.72 -48.07 5.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.684 ' CZ3' ' CD1' ' A' ' 52' ' ' LEU . 62.0 t90 -60.2 -58.36 8.83 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.932 HD12 ' HA ' ' A' ' 44' ' ' ILE . 4.0 mt -45.64 -48.62 14.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.611 HG21 ' HG2' ' A' ' 56' ' ' ARG . 8.2 t -68.3 -34.27 65.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 45' ' ' ASP . 0.4 OUTLIER -66.76 -47.46 72.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.541 1.15 . . . . 0.0 110.038 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.613 ' ND2' ' CD2' ' A' ' 46' ' ' TRP . 7.2 p30 -81.8 -17.01 49.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 47' ' ' LEU . 2.9 mmtp 76.87 35.31 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.758 HD13 HD23 ' A' ' 47' ' ' LEU . 6.7 mt -64.45 -21.25 66.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.506 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 4.7 m -129.12 -173.57 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -89.72 -27.6 19.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.476 ' OD1' ' CB ' ' A' ' 57' ' ' GLN . 0.9 OUTLIER -163.11 -178.35 5.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.783 ' HD2' HG21 ' A' ' 44' ' ' ILE . 1.2 mmm-85 -61.45 -38.71 88.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.476 ' CB ' ' OD1' ' A' ' 55' ' ' ASN . 2.5 tm0? -47.75 -65.18 0.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 110.274 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.506 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 3.9 mt-10 -41.0 -49.93 3.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.717 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -53.84 -38.02 58.86 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.4 OUTLIER -59.46 -52.14 66.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 0.731 . . . . 0.0 109.288 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 18.9 mtm -66.73 -48.45 69.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 65' ' ' SER . 4.1 mm -59.96 -53.02 54.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.545 ' HB3' ' CD1' ' A' ' 91' ' ' PHE . 14.3 m -38.95 -42.85 0.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.019 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.07 -50.9 71.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -52.25 -37.49 55.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.482 ' HB3' ' CD2' ' A' ' 72' ' ' LEU . 44.2 mt -67.92 -55.91 11.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.592 HD22 ' O ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -56.72 -60.32 3.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.528 ' N ' HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -37.74 -64.78 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.008 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -40.98 -40.22 1.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 114.05 25.17 4.26 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.544 1.152 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.598 ' CD1' ' CD2' ' A' ' 12' ' ' TYR . 30.5 m-85 -82.83 -23.3 33.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.504 ' O ' HD23 ' A' ' 67' ' ' LEU . 2.6 mm? -119.01 124.82 47.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.506 ' HB2' ' CZ ' ' A' ' 100' ' ' TYR . 26.8 mm-40 -96.54 124.24 51.51 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 110.239 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 132.76 15.74 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.553 1.818 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -133.3 123.87 26.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 128.12 -111.63 1.32 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -154.69 -52.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 0.787 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.47 -71.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.479 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -39.79 -41.31 1.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.012 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -56.12 -62.08 1.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -43.34 -49.06 6.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.653 ' HB1' ' O ' ' A' ' 90' ' ' PRO . . . -46.54 -53.69 10.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.31 58.02 2.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -143.01 -60.66 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -178.7 36.03 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.521 1.138 . . . . 0.0 110.954 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.557 HG22 ' N ' ' A' ' 87' ' ' ALA . 5.4 mm -69.63 -73.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 0.75 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.557 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -147.17 -145.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.01 7.59 41.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -129.61 104.66 17.38 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.653 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 18.3 Cg_endo -74.96 -25.69 11.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 111.006 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.545 ' CD1' ' HB3' ' A' ' 63' ' ' SER . 1.9 t80 -92.51 140.25 29.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.476 ' CD1' ' HB2' ' A' ' 82' ' ' ALA . 43.7 mt -118.65 115.0 23.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 6.4 t0 -70.19 67.06 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -141.16 149.04 54.03 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.027 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -3.51 14.03 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.469 1.773 . . . . 0.0 111.027 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.423 ' O ' ' CE1' ' A' ' 98' ' ' PHE . 0.4 OUTLIER -82.65 -41.32 19.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.61 119.67 12.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.423 ' CE1' ' O ' ' A' ' 96' ' ' ASP . 10.3 m-85 -106.44 138.34 42.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -140.3 145.47 37.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.506 ' CZ ' ' HB2' ' A' ' 73' ' ' GLN . 41.5 p90 -139.55 143.02 37.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.572 ' CE1' HD11 ' A' ' 38' ' ' LEU . 16.4 m-85 -61.44 134.13 93.4 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 111.049 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 72.94 4.47 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.0 t70 174.58 -36.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.78 -70.63 0.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 39.05 -159.62 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 158.88 41.67 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.443 1.759 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.28 122.52 3.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.039 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.5 t -54.06 -42.41 69.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 179.98 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t 64.3 117.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 0.0 110.02 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -119.24 -57.08 2.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.962 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.83 143.55 6.99 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.493 1.121 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.22 -62.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 0.8 . . . . 0.0 110.033 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.8 t -162.87 60.59 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.465 ' O ' HD23 ' A' ' 8' ' ' LEU . . . 58.05 74.23 0.37 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.465 HD23 ' O ' ' A' ' 7' ' ' GLY . 25.3 mt -125.31 -51.82 1.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 0.786 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -45.36 -68.55 0.95 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.62 ' HA ' HD12 ' A' ' 13' ' ' LEU . . . -44.93 -51.01 10.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 0.0 109.296 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.78 ' C ' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -54.94 -56.57 18.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -51.75 -39.37 58.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.978 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.62 HD12 ' HA ' ' A' ' 10' ' ' ALA . 60.9 mt -58.27 -47.44 83.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.25 -48.47 81.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.029 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 11.5 mtt -45.32 -37.8 5.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.979 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.82 -46.73 71.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.522 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.8 t0 -52.51 110.89 2.15 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.412 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 18.4 Cg_endo -74.94 -0.46 9.97 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.44 1.758 . . . . 0.0 111.043 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -117.26 -55.44 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 110.282 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -94.79 10.37 35.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.522 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -135.95 -154.19 6.83 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.782 HD13 HD13 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -68.75 162.91 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.55 0.794 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.446 ' N ' HG23 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -87.82 -176.1 5.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -150.0 89.86 1.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.534 HD22 ' N ' ' A' ' 25' ' ' LEU . 2.5 mm? -105.28 165.61 10.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -111.28 110.17 20.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 mt -100.7 156.48 17.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -118.41 144.35 46.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 tptp -140.04 106.34 5.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.1 t0 72.32 -61.14 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -154.94 -54.29 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.533 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 1.8 ptmt -46.46 144.85 1.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.8 t -118.46 103.43 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.533 ' CE1' ' HG3' ' A' ' 32' ' ' LYS . 18.7 m-85 -77.31 101.32 6.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -86.15 146.97 26.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 46.52 77.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.554 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.705 ' C ' HD23 ' A' ' 38' ' ' LEU . 85.6 m -145.53 175.12 10.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 108.275 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.782 HD13 HD13 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -130.03 -157.18 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.698 HG23 ' O ' ' A' ' 38' ' ' LEU . 2.0 p -159.77 139.72 11.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.385 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.426 ' HA2' ' CE2' ' A' ' 91' ' ' PHE . . . -37.9 -43.9 1.35 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.0 t -68.99 -44.99 71.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 110.026 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 39' ' ' THR . . . -65.59 -44.55 92.55 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.549 1.156 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.642 ' HA ' HD11 ' A' ' 22' ' ' ILE . 96.2 t -47.18 -48.43 8.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.493 0.76 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.769 HG21 ' HD2' ' A' ' 56' ' ' ARG . 11.3 mt -74.48 -44.25 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -40.87 -46.71 2.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.643 ' CZ3' ' CD1' ' A' ' 52' ' ' LEU . 60.0 t90 -60.73 -56.77 17.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 107.967 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.462 HD23 ' CD1' ' A' ' 52' ' ' LEU . 49.5 mt -46.08 -46.35 16.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.254 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.448 HG21 ' HG2' ' A' ' 56' ' ' ARG . 24.9 t -71.0 -32.26 47.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 46' ' ' TRP . 0.2 OUTLIER -68.5 -46.54 69.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.975 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.622 ' ND2' ' CD2' ' A' ' 46' ' ' TRP . 6.9 p30 -83.0 -20.04 35.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 47' ' ' LEU . 3.9 mmtp 80.01 36.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.643 ' CD1' ' CZ3' ' A' ' 46' ' ' TRP . 8.2 mt -69.23 -10.73 59.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.531 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 2.4 m -139.65 -171.43 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.1 mtt180 -95.96 -26.08 15.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.339 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -161.85 -177.93 6.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.769 ' HD2' HG21 ' A' ' 44' ' ' ILE . 0.6 OUTLIER -61.7 -39.37 91.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.416 ' O ' ' HB3' ' A' ' 60' ' ' LEU . 4.0 tm0? -49.33 -70.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.531 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 2.9 mt-10 -38.14 -48.84 1.29 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 110.239 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.597 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -53.25 -47.87 60.61 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.416 ' HB3' ' O ' ' A' ' 57' ' ' GLN . 2.8 tp -50.54 -65.55 0.54 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.406 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 23.2 mtm -47.13 -52.2 16.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 65' ' ' SER . 10.0 mm -56.31 -57.95 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.558 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 4.4 m -36.59 -49.16 0.74 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.996 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 61' ' ' MET . . . -50.6 -52.05 42.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -51.05 -43.09 60.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.952 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.563 HD11 ' CD2' ' A' ' 11' ' ' LEU . 2.6 mm? -61.89 -55.89 24.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.536 HD12 ' O ' ' A' ' 72' ' ' LEU . 2.7 tp -56.14 -56.67 18.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -37.92 -67.67 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.003 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -41.03 -39.95 1.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 114.86 26.61 3.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.577 1.173 . . . . 0.0 110.952 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.424 ' O ' HD13 ' A' ' 72' ' ' LEU . 25.7 m-85 -81.96 -25.47 34.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 0.74 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.536 ' O ' HD12 ' A' ' 67' ' ' LEU . 2.4 mm? -118.43 127.39 53.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -100.36 128.28 30.81 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 138.35 22.88 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.483 1.781 . . . . 0.0 111.031 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -137.69 122.46 18.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 134.49 -91.76 0.24 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 178.11 -37.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 0.774 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.629 HD21 HD22 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -61.19 -79.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.768 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 15.2 p -39.84 -37.03 0.5 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 110.001 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -56.88 -53.49 57.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 78' ' ' LEU . 16.0 m-80 -54.08 -25.54 22.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.236 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.768 ' HB3' ' O ' ' A' ' 79' ' ' SER . . . -64.06 -68.46 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -50.59 -24.67 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -55.51 -62.67 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 162.29 53.97 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.46 1.1 . . . . 0.0 110.955 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.677 HG22 ' N ' ' A' ' 87' ' ' ALA . 3.5 mm -73.52 -78.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.677 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -131.94 -143.84 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -91.58 -17.49 25.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 110.278 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -111.03 105.5 57.14 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.409 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 18.3 Cg_endo -74.96 -22.56 14.77 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.493 1.786 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.644 ' C ' HD12 ' A' ' 92' ' ' LEU . 1.9 t80 -86.25 131.43 34.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.705 HD12 ' N ' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -104.89 107.43 18.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.331 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -68.78 67.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -144.42 151.91 52.16 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -2.2 12.22 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.528 1.804 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.56 ' O ' ' CE2' ' A' ' 98' ' ' PHE . 0.3 OUTLIER -83.53 -52.49 6.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.401 ' O ' ' HA ' ' A' ' 39' ' ' THR . . . -59.9 119.33 7.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.56 ' CE2' ' O ' ' A' ' 96' ' ' ASP . 8.9 m-85 -105.67 132.09 52.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.951 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.432 ' CE1' HD13 ' A' ' 67' ' ' LEU . 26.8 m-85 -131.54 146.5 52.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.433 ' CD2' ' HA3' ' A' ' 105' ' ' GLY . 35.2 p90 -145.96 147.44 31.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.535 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 8.5 m-85 -64.74 139.35 97.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 64.59 6.03 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.534 1.807 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -167.61 -43.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 105' ' ' GLY . 0.5 OUTLIER -97.48 -66.37 0.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.433 ' HA3' ' CD2' ' A' ' 100' ' ' TYR . . . 37.07 -150.87 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 61.18 5.64 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.48 1.779 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 108' ' ' SER . 0.6 OUTLIER 69.41 -68.83 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.006 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 107' ' ' SER . 1.7 t 79.38 -54.09 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.981 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.97 128.33 54.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 0.79 . . . . 0.0 110.012 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.35 170.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -38.02 -86.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 m 41.13 48.64 3.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 0.772 . . . . 0.0 109.969 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.47 94.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 132.52 -85.61 0.29 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.488 1.117 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.446 ' CD2' ' HG3' ' A' ' 69' ' ' GLU . 5.8 mp -39.68 -65.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -33.49 -72.05 0.1 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -42.94 -54.76 4.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 0.785 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.666 ' C ' HD12 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -52.98 -58.12 8.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.49 ' CG ' ' CD1' ' A' ' 71' ' ' TYR . 34.9 t80 -50.29 -47.85 55.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.1 mt -49.42 -38.89 30.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.6 OUTLIER -66.57 -52.65 43.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.992 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 101' ' ' PHE . 19.6 mtt -42.85 -33.12 0.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -61.1 -43.38 98.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 14' ' ' SER . 0.7 OUTLIER -55.3 118.13 17.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -2.7 12.89 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.48 1.779 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -121.7 -52.6 2.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -94.34 18.11 11.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.428 ' N ' ' HB3' ' A' ' 17' ' ' ASP . . . -138.28 -152.64 6.05 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.537 1.148 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.762 ' CG2' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -77.6 159.25 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 0.742 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.2 -174.97 4.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -153.14 101.65 2.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.332 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.94 170.03 8.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -109.01 111.22 22.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 mt -107.41 123.57 48.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 32' ' ' LYS . 81.1 tt0 -88.63 126.56 35.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.96 138.58 14.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 t0 62.05 34.33 16.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.3 mttt 58.59 53.71 5.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -156.23 127.63 7.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.2 t -87.08 85.83 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.339 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -71.38 102.13 2.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -86.62 164.56 16.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.459 ' HB2' ' CA ' ' A' ' 105' ' ' GLY . 25.7 m-70 42.43 53.95 4.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.553 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -116.32 166.15 12.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.167 . . . . 0.0 108.317 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.762 HD22 ' CG2' ' A' ' 22' ' ' ILE . 0.5 OUTLIER -127.96 -155.51 0.7 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.953 ' O ' HG13 ' A' ' 43' ' ' VAL . 2.5 p -159.12 135.93 9.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.416 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.402 ' C ' HG22 ' A' ' 43' ' ' VAL . . . -56.64 -26.34 52.84 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.539 1.15 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.44 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 31.3 t -83.92 -41.44 17.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 0.762 . . . . 0.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.47 -43.91 43.35 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.109 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.953 HG13 ' O ' ' A' ' 39' ' ' THR . 17.4 m -51.23 -55.35 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.762 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.687 HG22 ' HD2' ' A' ' 56' ' ' ARG . 78.5 mt -54.89 -37.81 42.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -60.33 -39.79 88.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.52 ' CG ' HG13 ' A' ' 22' ' ' ILE . 79.4 t90 -68.03 -38.35 82.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 107.973 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 51.6 mt -55.98 -37.68 69.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 43.3 t -85.64 -40.65 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.361 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.64 -47.48 40.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.986 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.458 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 4.7 m120 -81.32 -22.55 38.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 10.2 mmtt 84.43 65.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.365 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.485 ' HA ' HD23 ' A' ' 52' ' ' LEU . 12.9 mt -103.66 -25.96 12.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.443 ' HB ' ' CB ' ' A' ' 58' ' ' GLU . 16.5 m -128.0 179.76 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -84.97 -30.33 24.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -160.92 161.37 31.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.687 ' HD2' HG22 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -42.75 -47.61 5.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.309 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.76 -63.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.445 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -45.4 -48.61 13.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.365 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.409 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -52.33 -41.22 54.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.109 . . . . 0.0 110.978 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.411 HD23 HD11 ' A' ' 44' ' ' ILE . 1.1 tm? -55.03 -57.07 13.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.771 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 32.6 mtm -56.03 -48.74 75.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 65' ' ' SER . 25.8 mm -60.35 -50.99 78.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.566 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 64.9 m -40.02 -52.24 2.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.99 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.494 ' HB1' ' HD2' ' A' ' 90' ' ' PRO . . . -45.22 -48.84 12.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -52.11 -41.38 62.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.027 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.592 HD11 ' CD2' ' A' ' 11' ' ' LEU . 1.2 mm? -64.53 -57.08 10.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.613 HD22 ' O ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -55.42 -61.07 2.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.481 ' N ' HD13 ' A' ' 67' ' ' LEU . 1.7 t -38.0 -62.88 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.049 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.446 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 21.6 mm-40 -44.01 -40.34 4.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.301 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 114.64 31.68 2.09 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.645 ' C ' HD22 ' A' ' 72' ' ' LEU . 33.6 m-85 -90.24 -17.51 27.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.751 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.645 HD22 ' C ' ' A' ' 71' ' ' TYR . 2.7 mm? -126.22 124.92 41.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.45 ' CB ' ' CZ ' ' A' ' 100' ' ' TYR . 34.9 mm-40 -94.03 126.07 50.38 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 120.37 6.02 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.547 1.814 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.437 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -112.5 143.49 43.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 98.82 -124.9 8.37 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -139.34 -48.13 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 0.73 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 81' ' ' ASN . 0.6 OUTLIER -49.01 -75.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.517 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 36.8 m -41.91 -39.45 1.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.978 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -59.3 -47.62 84.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 78' ' ' LEU . 51.3 m-20 -60.42 -36.28 77.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.699 ' HB1' ' O ' ' A' ' 90' ' ' PRO . . . -53.71 -59.24 4.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.25 43.91 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -111.29 -65.15 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -158.88 25.41 0.36 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.131 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.67 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 5.8 mm -63.53 -66.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.502 0.766 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 86' ' ' ILE . . . 83.79 160.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.538 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 2.4 tt0 74.43 -10.38 1.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 88' ' ' GLU . 0.6 OUTLIER 157.5 107.17 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.699 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 18.4 Cg_endo -75.05 -29.68 7.89 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.491 1.785 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 1.3 t80 -76.62 149.42 36.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.622 ' CD1' ' HB2' ' A' ' 82' ' ' ALA . 56.9 mt -126.53 107.16 9.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -68.04 69.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -139.55 147.84 53.79 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -5.23 16.53 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.792 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.47 ' O ' ' CE2' ' A' ' 98' ' ' PHE . 0.7 OUTLIER -84.32 -50.61 7.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.34 117.35 5.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.47 ' CE2' ' O ' ' A' ' 96' ' ' ASP . 31.6 m-85 -105.5 129.0 53.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -126.83 134.57 50.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.45 ' CZ ' ' CB ' ' A' ' 73' ' ' GLN . 36.8 p90 -127.29 141.09 51.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.462 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 18.1 m-85 -58.43 146.26 72.88 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 101' ' ' PHE . 18.4 Cg_endo -75.03 62.43 5.88 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -176.96 -39.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.578 1.174 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.5 t -101.66 -171.72 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.941 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.459 ' CA ' ' HB2' ' A' ' 36' ' ' HIS . . . 123.43 -147.81 16.7 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.54 1.15 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -43.97 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.498 1.788 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.68 102.75 12.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.024 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.95 163.05 22.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.998 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.0 p -168.71 89.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 109.999 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.7 p -148.41 155.01 40.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.61 71.52 0.24 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.1 p -172.76 44.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 109.997 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.96 95.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 126.69 -85.84 0.34 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.467 1.105 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.517 ' O ' ' C ' ' A' ' 9' ' ' GLY . 5.9 mp -39.66 -67.95 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.517 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -28.21 -68.91 0.07 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.14 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.81 -60.25 3.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.905 HD13 ' N ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -47.56 -55.6 8.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.905 ' N ' HD13 ' A' ' 11' ' ' LEU . 40.9 t80 -51.64 -52.83 44.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.555 HD23 ' HE3' ' A' ' 16' ' ' LYS . 20.6 mt -42.87 -38.0 2.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.4 ' C ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -68.68 -53.62 21.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.6 mtt -43.84 -25.84 0.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.555 ' HE3' HD23 ' A' ' 13' ' ' LEU . 2.1 mtmp? -66.36 -48.33 70.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.517 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 2.7 t70 -48.64 115.26 4.23 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.85 10.47 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.772 . . . . 0.0 110.973 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -118.23 -54.68 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.345 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -97.0 14.48 25.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.517 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -139.02 -156.74 7.09 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.436 1.085 . . . . 0.0 111.047 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.878 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -74.34 150.47 7.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.523 0.778 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.427 ' HD3' ' N ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -88.7 -174.09 4.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -141.2 85.06 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.328 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.634 HD22 ' N ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -85.75 150.83 24.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -85.61 132.6 34.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.534 HD13 ' CD1' ' A' ' 98' ' ' PHE . 3.1 mt -127.05 119.49 26.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.485 ' OE1' HG22 ' A' ' 33' ' ' VAL . 33.6 tt0 -99.2 133.61 43.24 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.51 1.131 . . . . 0.0 110.266 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.7 tptt -125.76 79.59 1.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.7 t0 51.21 92.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.599 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER 71.35 -61.37 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -52.69 106.55 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.328 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 31' ' ' LYS . 52.3 t -99.05 83.4 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -72.96 102.01 3.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.69 150.18 20.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 11.6 m170 65.74 57.05 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.603 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 95.6 m -133.41 159.19 41.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 108.324 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.727 ' O ' HG23 ' A' ' 39' ' ' THR . 5.5 mt -116.57 -150.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.737 ' O ' HG13 ' A' ' 43' ' ' VAL . 1.7 p -160.52 127.89 4.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.387 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.411 ' C ' HG22 ' A' ' 43' ' ' VAL . . . -48.23 -26.04 4.52 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.528 1.142 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.457 ' O ' ' NH2' ' A' ' 56' ' ' ARG . 2.3 t -84.42 -43.68 14.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 0.789 . . . . 0.0 110.043 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.68 -43.26 60.45 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.878 ' HA ' HD11 ' A' ' 22' ' ' ILE . 16.2 m -51.46 -54.99 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 0.0 109.347 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.716 ' HA ' HD12 ' A' ' 47' ' ' LEU . 74.6 mt -55.17 -49.44 72.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -46.0 -40.46 10.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.517 ' CG ' HG13 ' A' ' 22' ' ' ILE . 82.4 t90 -67.32 -42.39 83.69 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.716 HD12 ' HA ' ' A' ' 44' ' ' ILE . 72.2 mt -53.1 -49.41 66.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 51' ' ' LYS . 46.9 t -70.33 -48.67 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.09 -50.51 4.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.474 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 4.8 m120 -78.29 -25.46 46.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 7.5 mmtt 86.22 49.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.544 HD11 HD23 ' A' ' 11' ' ' LEU . 11.1 mt -80.86 -28.62 35.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.486 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 2.5 m -125.22 -172.53 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.7 mtt180 -97.46 -24.36 15.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.247 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -154.33 175.35 13.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.457 ' NH2' ' O ' ' A' ' 41' ' ' SER . 10.6 ttt-85 -64.05 -40.58 96.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -49.15 -65.08 0.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.486 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 2.2 mt-10 -40.6 -47.8 2.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -56.35 -40.03 84.35 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.539 1.149 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.6 OUTLIER -58.22 -47.53 83.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 0.763 . . . . 0.0 109.277 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 26.4 mtm -67.28 -51.85 47.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.1 mm -54.21 -49.33 63.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.571 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 3.4 m -43.52 -50.34 7.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.0 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -50.14 -45.29 52.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.27 -37.98 62.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.741 HD11 HD11 ' A' ' 11' ' ' LEU . 19.9 mt -68.64 -57.72 5.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.78 HD21 ' HB2' ' A' ' 83' ' ' ALA . 11.8 tp -50.13 -55.54 14.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.64 -65.11 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.036 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -45.26 -33.39 2.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 107.52 30.84 3.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.58 ' C ' HD22 ' A' ' 72' ' ' LEU . 21.7 m-85 -85.94 -22.94 27.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.782 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.677 ' O ' HD12 ' A' ' 67' ' ' LEU . 2.9 mm? -119.19 120.42 37.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.424 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . 17.4 mm-40 -97.89 130.64 28.37 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -75.01 126.97 10.3 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.485 1.782 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -118.69 102.05 8.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 133.95 -122.54 3.04 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.461 1.1 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.76 -50.32 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 0.783 . . . . 0.0 109.356 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.615 ' C ' HD23 ' A' ' 78' ' ' LEU . 5.8 tt -47.39 -71.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.5 p -49.09 -24.45 1.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.992 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -51.02 18.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -57.36 -42.03 81.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.561 ' HB2' ' CD1' ' A' ' 92' ' ' LEU . . . -52.61 -59.01 4.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.78 ' HB2' HD21 ' A' ' 67' ' ' LEU . . . -89.21 43.33 1.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.108 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -111.72 -65.06 1.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.422 1.076 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -160.3 25.66 0.3 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.682 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 4.9 mm -65.09 -67.07 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 0.776 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 86' ' ' ILE . . . 84.0 164.33 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER 73.14 -7.0 1.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.256 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.538 ' CB ' ' O ' ' A' ' 88' ' ' GLU . 1.0 OUTLIER 153.65 102.15 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.336 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.527 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 18.5 Cg_endo -74.99 -29.55 8.12 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.508 1.793 . . . . 0.0 111.042 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.571 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 1.5 t80 -79.52 139.37 37.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.561 ' CD1' ' HB2' ' A' ' 82' ' ' ALA . 79.7 mt -117.66 109.7 16.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.44 ' OD1' ' NH1' ' A' ' 56' ' ' ARG . 22.7 t0 -68.38 72.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.55 147.98 35.25 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.985 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.434 ' HA ' ' HB ' ' A' ' 39' ' ' THR . 18.5 Cg_endo -74.96 -4.71 15.81 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.467 1.772 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.437 ' O ' ' CZ ' ' A' ' 98' ' ' PHE . 0.2 OUTLIER -82.71 -48.26 11.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.278 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.84 112.06 3.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.534 ' CD1' HD13 ' A' ' 27' ' ' LEU . 9.5 m-85 -100.77 139.13 36.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -139.59 140.19 36.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 111.05 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.424 ' CE1' ' HB2' ' A' ' 73' ' ' GLN . 33.5 p90 -131.56 146.71 52.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 111.058 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.549 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 12.9 m-85 -65.51 138.16 96.76 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 72.51 4.61 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.511 1.795 . . . . 0.0 110.945 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -177.04 -41.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.41 -80.12 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.021 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 44.28 -169.16 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.469 1.105 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 168.83 23.97 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.455 1.766 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 22.9 t -141.28 148.71 40.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 37.8 p -163.12 130.67 3.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.973 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.437 1.086 . . . . 0.0 111.073 179.982 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 p 60.12 79.0 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 0.747 . . . . 0.0 110.01 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.54 142.76 29.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.01 -154.13 0.05 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.36 40.62 17.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 110.022 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.68 98.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.021 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.21 -81.46 0.24 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 12' ' ' TYR . 5.0 mp -42.78 -47.95 5.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.784 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.497 ' O ' ' CD1' ' A' ' 13' ' ' LEU . . . -36.98 -79.1 0.04 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.429 1.081 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.49 -43.69 8.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 0.785 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.868 HD23 ' C ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -57.07 -50.61 72.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.489 ' N ' ' O ' ' A' ' 8' ' ' LEU . 18.3 t80 -58.66 -48.42 81.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.966 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 9' ' ' GLY . 7.8 mp -46.45 -37.8 8.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.4 OUTLIER -69.97 -52.52 23.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.972 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.523 ' SD ' HD21 ' A' ' 11' ' ' LEU . 8.4 mtt -46.29 -24.91 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.08 -40.64 78.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.491 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.1 t0 -58.06 112.74 5.23 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -0.72 10.32 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.524 1.802 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -119.03 -52.68 2.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -98.86 17.19 20.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -138.64 -154.22 6.39 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.543 1.152 . . . . 0.0 110.963 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.828 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -70.59 151.56 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.761 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.55 161.08 15.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.515 ' C ' HD13 ' A' ' 25' ' ' LEU . 34.3 mt-10 -124.48 105.36 9.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.548 HD22 ' N ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -109.52 166.54 10.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 1.016 ' O ' HD13 ' A' ' 27' ' ' LEU . 4.4 p-10 -102.93 131.12 50.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.174 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.016 HD13 ' O ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -136.13 139.68 43.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -117.77 99.71 7.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -53.43 -61.1 2.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.173 . . . . 0.0 109.313 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -133.88 -72.81 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -129.1 7.5 5.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.91 114.81 29.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.1 t -85.37 95.35 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -77.16 101.54 6.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -102.06 157.22 17.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 52.65 42.24 31.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.601 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 73.4 m -121.01 -176.73 3.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 108.291 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.734 HD22 ' CG2' ' A' ' 22' ' ' ILE . 0.7 OUTLIER -127.22 -148.92 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.7 HG23 ' O ' ' A' ' 38' ' ' LEU . 2.2 p -159.9 129.19 5.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.4 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 39' ' ' THR . . . -37.29 -55.7 1.54 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.54 1.15 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 t -64.96 -49.71 69.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 45' ' ' ASP . . . -52.25 -51.98 38.88 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.555 1.159 . . . . 0.0 111.044 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.828 ' HA ' HD11 ' A' ' 22' ' ' ILE . 65.6 t -45.44 -50.26 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.57 0.806 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.933 ' HA ' HD12 ' A' ' 47' ' ' LEU . 25.2 mt -69.4 -28.68 39.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 42' ' ' GLY . 7.0 t0 -62.07 -42.83 99.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.543 ' CG ' HG13 ' A' ' 22' ' ' ILE . 81.6 t90 -64.1 -34.27 77.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 108.055 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.933 HD12 ' HA ' ' A' ' 44' ' ' ILE . 23.4 mt -65.67 -53.8 36.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 80.2 t -66.77 -37.93 80.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.69 -47.98 69.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.436 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 12.9 m-80 -82.12 -18.83 41.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.436 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 3.6 mmtt 83.52 42.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.814 HD12 HD23 ' A' ' 47' ' ' LEU . 9.6 mt -71.57 -25.48 62.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 2.6 m -130.66 -172.48 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.2 mtt85 -97.89 -27.08 14.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.344 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.409 ' N ' ' ND2' ' A' ' 55' ' ' ASN . 0.5 OUTLIER -152.49 172.05 17.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.65 ' HD2' HG21 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -59.81 -42.41 93.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 58' ' ' GLU . 5.7 tm0? -47.39 -66.41 0.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.492 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 2.2 mt-10 -38.26 -49.13 1.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.269 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.501 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -57.51 -47.21 89.89 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.44 HD23 ' HB2' ' A' ' 93' ' ' ASP . 0.5 OUTLIER -44.56 -50.63 9.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.0 109.29 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.443 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 26.5 mtm -64.01 -57.14 10.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 63' ' ' SER . 28.3 mm -50.8 -54.87 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.545 ' HB3' ' CD2' ' A' ' 91' ' ' PHE . 18.8 m -37.47 -50.49 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 61' ' ' MET . . . -47.26 -54.87 9.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.413 ' CB ' HD21 ' A' ' 8' ' ' LEU . 1.3 t -45.72 -44.94 14.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.01 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.648 HD11 HD22 ' A' ' 11' ' ' LEU . 1.5 mm? -63.34 -55.79 21.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.506 HD22 ' O ' ' A' ' 67' ' ' LEU . 0.7 OUTLIER -55.02 -61.78 2.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.46 ' N ' HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -37.9 -66.21 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.02 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -38.69 -38.83 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 114.4 0.16 23.55 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.402 ' CE2' ' HB3' ' A' ' 8' ' ' LEU . 32.9 m-85 -57.42 -15.88 7.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 0.0 110.977 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.3 mt -132.26 126.07 32.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.509 ' CB ' ' CZ ' ' A' ' 100' ' ' TYR . 19.2 mm-40 -94.89 130.74 32.05 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 138.61 23.16 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.492 1.785 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -137.83 107.6 6.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.93 -108.29 0.51 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -159.18 -52.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 0.777 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.437 HD22 HD23 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -40.88 -79.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.636 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 95.4 p -43.02 -54.57 4.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -45.15 -68.84 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -43.29 -34.58 1.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' A' ' 79' ' ' SER . . . -69.46 -57.25 5.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -50.94 -25.88 5.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.347 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.49 -63.0 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 165.22 59.66 0.02 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.7 mm -77.66 -64.14 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.774 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -152.84 -140.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.29 12.5 36.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -134.15 91.94 22.54 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.441 ' O ' ' CD1' ' A' ' 92' ' ' LEU . 18.3 Cg_endo -74.95 -25.99 11.45 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.537 1.809 . . . . 0.0 111.027 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.571 ' C ' HD12 ' A' ' 92' ' ' LEU . 2.8 t80 -85.45 127.94 34.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.691 HD12 ' N ' ' A' ' 92' ' ' LEU . 1.2 mp -103.12 110.02 21.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.44 ' HB2' HD23 ' A' ' 60' ' ' LEU . 12.5 t70 -70.21 65.48 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.45 149.46 65.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -11.92 21.56 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.587 ' O ' ' CE2' ' A' ' 98' ' ' PHE . 0.8 OUTLIER -73.87 -58.25 3.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -46.13 158.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.587 ' CE2' ' O ' ' A' ' 96' ' ' ASP . 53.8 m-85 -146.74 135.14 21.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 38' ' ' LEU . 88.3 m-85 -133.53 153.73 51.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.974 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.509 ' CZ ' ' CB ' ' A' ' 73' ' ' GLN . 39.0 p90 -144.53 142.52 30.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.402 ' CZ ' ' HB3' ' A' ' 15' ' ' MET . 34.7 m-85 -63.24 149.88 90.3 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 72.82 4.52 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 0.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.9 t0 174.73 -39.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.6 m -116.52 156.93 26.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.998 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 153.31 -161.87 29.93 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 111.037 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 86.46 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.493 1.786 . . . . 0.0 111.012 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.0 m -61.76 119.84 9.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.58 1.175 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.95 -52.65 2.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.517 1.136 . . . . 0.0 110.973 -179.984 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 9' ' ' GLY . 4.8 mp . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -35.53 -71.87 0.15 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.27 -52.58 7.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 0.782 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.983 HD21 HD11 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -53.11 -56.13 18.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.578 ' CD2' ' CD1' ' A' ' 71' ' ' TYR . 22.4 t80 -52.97 -53.7 45.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 48.8 mt -43.79 -35.77 2.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.5 OUTLIER -72.31 -51.55 20.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.002 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 8.1 mtt -44.18 -29.59 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.96 -44.5 95.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.485 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.5 t0 -55.0 114.6 7.3 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -2.05 12.03 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.478 1.778 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -118.1 -54.46 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -94.43 13.36 24.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.485 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -137.81 -155.09 6.75 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.442 1.089 . . . . 0.0 111.037 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.754 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -70.63 156.41 7.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 0.75 . . . . 0.0 109.267 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.409 ' O ' HG23 ' A' ' 22' ' ' ILE . 1.2 mttm -88.76 -175.34 4.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -149.44 106.34 3.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 110.326 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.81 171.73 7.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -110.43 102.73 11.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.281 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.2 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 79.4 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -126.98 101.43 6.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -87.44 156.86 19.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 49.37 53.09 13.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.615 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.514 ' C ' HD23 ' A' ' 38' ' ' LEU . 10.8 m -125.98 163.44 22.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 108.337 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.514 HD23 ' C ' ' A' ' 37' ' ' CYS . 1.7 mt -119.1 -150.87 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.51 ' O ' HG23 ' A' ' 43' ' ' VAL . 2.3 p -152.78 135.29 15.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.375 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -43.95 -52.32 6.84 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.546 1.153 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -73.65 -46.16 48.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 110.05 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 45' ' ' ASP . . . -52.14 -47.94 53.98 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.754 ' HA ' HD11 ' A' ' 22' ' ' ILE . 41.6 t -48.16 -39.68 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.903 ' HA ' HD12 ' A' ' 47' ' ' LEU . 10.5 mt -78.7 -29.23 14.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 42' ' ' GLY . 7.9 t0 -59.95 -41.39 91.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.52 ' CG ' HG13 ' A' ' 22' ' ' ILE . 84.0 t90 -66.87 -34.31 77.52 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.97 HD23 HD12 ' A' ' 52' ' ' LEU . 21.2 mt -65.09 -55.54 18.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 72.1 t -66.57 -41.49 88.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.4 m -48.81 -49.75 37.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.944 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.422 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 7.4 m-80 -82.35 -18.86 40.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 4.3 mmtt 82.51 55.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.97 HD12 HD23 ' A' ' 47' ' ' LEU . 12.2 mt -84.98 -20.44 30.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 2.6 m -134.54 -173.41 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -93.2 -29.16 15.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -153.43 173.24 15.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.093 . . . . 0.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.714 ' HD2' HG21 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -60.34 -40.64 91.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.282 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -48.01 -65.05 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.466 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 1.7 mt-10 -38.58 -48.4 1.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.35 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.56 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -57.95 -43.71 94.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.6 OUTLIER -48.72 -45.97 40.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 0.721 . . . . 0.0 109.265 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 43.3 mtm -67.41 -54.75 17.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 23.9 mm -54.23 -52.08 41.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 91' ' ' PHE . 15.1 m -39.83 -49.57 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.975 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.56 -52.19 49.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.52 -40.45 59.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.023 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.983 HD11 HD21 ' A' ' 11' ' ' LEU . 27.3 mt -64.13 -56.49 14.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.593 HD12 ' O ' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -56.3 -56.6 19.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -37.25 -69.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.981 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -39.67 -39.65 0.79 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 115.49 15.38 7.6 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.464 1.103 . . . . 0.0 110.974 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.578 ' CD1' ' CD2' ' A' ' 12' ' ' TYR . 23.7 m-85 -72.4 -16.12 61.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.757 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.593 ' O ' HD12 ' A' ' 67' ' ' LEU . 14.8 mt -135.2 122.37 21.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.434 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . 17.5 mm-40 -98.08 137.3 20.84 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 145.28 31.23 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.802 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -149.59 114.56 5.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 120.25 -92.61 0.52 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' SER . 0.3 OUTLIER -165.35 -172.59 2.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.751 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.0 mp 65.26 -77.15 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.45 ' HB2' ' CE1' ' A' ' 99' ' ' TYR . 78.9 p -45.36 -48.11 13.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.67 -59.26 4.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -48.8 -34.05 11.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.446 ' HA ' ' CG1' ' A' ' 86' ' ' ILE . . . -69.7 -58.94 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -49.6 -25.37 2.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -55.63 -63.16 1.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 166.7 50.18 0.03 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.651 HG22 ' N ' ' A' ' 87' ' ' ALA . 3.4 mm -67.5 -75.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 0.749 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.651 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -137.29 -145.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.95 8.75 36.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -133.53 106.58 11.96 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.463 ' HB2' ' CD2' ' A' ' 67' ' ' LEU . 18.4 Cg_endo -74.99 -31.94 5.81 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.48 1.779 . . . . 0.0 111.024 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 63' ' ' SER . 3.6 t80 -77.95 153.86 32.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.435 HD11 ' HB2' ' A' ' 82' ' ' ALA . 21.4 mt -134.44 113.29 11.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -73.33 67.68 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.14 147.14 62.66 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -11.33 21.51 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.454 1.766 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.515 ' O ' ' CZ ' ' A' ' 98' ' ' PHE . 18.1 m-20 -79.74 -46.53 16.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.98 143.59 56.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.515 ' CZ ' ' O ' ' A' ' 96' ' ' ASP . 16.6 m-85 -133.39 149.38 51.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.534 ' CE1' HD13 ' A' ' 67' ' ' LEU . 94.0 m-85 -140.68 163.77 31.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.434 ' CE1' ' HB2' ' A' ' 73' ' ' GLN . 26.5 p90 -156.46 150.05 24.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -70.96 142.69 88.08 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 111.036 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 72.17 4.75 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.541 1.811 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -176.75 -40.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.043 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.746 HD22 ' CD2' ' A' ' 66' ' ' LEU . 78.9 mt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -35.81 -55.48 1.09 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.4 -49.87 6.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.763 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 8' ' ' LEU . 41.6 mt -55.09 -62.73 1.47 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.526 ' CG ' ' CD1' ' A' ' 71' ' ' TYR . 31.0 t80 -46.77 -43.41 18.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 78.7 mt -59.77 -47.19 86.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.82 -50.08 53.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.991 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 11.1 mtp -48.76 -22.17 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.428 ' CG ' ' O ' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -68.86 -43.41 75.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.454 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 2.2 t0 -56.64 116.71 13.78 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -2.15 12.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.545 1.813 . . . . 0.0 110.999 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -119.05 -54.01 2.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 110.328 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -94.18 14.8 18.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.454 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -138.53 -154.31 6.43 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.795 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -68.54 155.19 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.778 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.4 ' O ' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -82.7 178.21 8.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -146.44 95.73 2.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.92 153.65 20.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.969 ' C ' HD13 ' A' ' 27' ' ' LEU . 7.6 p-10 -101.54 125.41 48.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.969 HD13 ' C ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.567 HG12 ' ND2' ' A' ' 35' ' ' ASN . 76.1 t . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.452 ' CE1' ' HB1' ' A' ' 75' ' ' ALA . 52.9 m-85 -70.97 104.16 2.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.939 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.567 ' ND2' HG12 ' A' ' 33' ' ' VAL . 1.9 m-80 -99.92 142.25 31.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 60.46 50.95 5.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.54 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.487 ' C ' HD23 ' A' ' 38' ' ' LEU . 66.9 m -121.44 166.37 14.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 108.279 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.615 ' O ' HG23 ' A' ' 39' ' ' THR . 1.0 OUTLIER -118.41 -150.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.615 HG23 ' O ' ' A' ' 38' ' ' LEU . 2.3 p -157.4 137.03 12.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.428 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -45.58 -44.31 11.67 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 110.948 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.8 t -75.45 -53.25 8.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 109.954 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -50.8 -44.5 48.8 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 111.055 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.795 ' HA ' HD11 ' A' ' 22' ' ' ILE . 39.9 t -51.4 -42.71 28.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.711 HG21 ' HD2' ' A' ' 56' ' ' ARG . 17.5 mt -78.61 -27.11 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -63.84 -39.42 94.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.528 ' CG ' HG13 ' A' ' 22' ' ' ILE . 85.9 t90 -67.4 -34.83 78.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 107.989 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.901 HD23 HD12 ' A' ' 52' ' ' LEU . 81.2 mt -64.87 -53.9 39.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.2 t -67.77 -43.23 86.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.9 m -46.7 -50.15 18.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.971 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.421 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 8.8 m-80 -82.16 -20.17 38.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 4.4 mmtt 82.72 53.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.901 HD12 HD23 ' A' ' 47' ' ' LEU . 12.0 mt -82.94 -20.83 34.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 2.8 m -132.15 -172.13 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.3 mtt-85 -95.87 -23.05 17.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.334 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.442 ' N ' ' ND2' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -157.95 176.23 12.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.252 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.711 ' HD2' HG21 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -63.98 -40.12 95.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.243 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.439 ' CB ' ' OD1' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -48.45 -66.64 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.102 . . . . 0.0 110.335 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.477 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 1.8 mt-10 -38.29 -49.34 1.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.493 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -57.76 -49.2 76.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -44.18 -50.15 8.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 32.0 mtm -63.97 -57.08 10.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 65' ' ' SER . 11.6 mm -51.28 -55.27 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.547 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 5.7 m -37.3 -51.23 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.971 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -50.78 -50.78 55.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.255 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -49.6 -42.77 45.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.97 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.746 ' CD2' HD22 ' A' ' 8' ' ' LEU . 2.2 mm? -62.49 -56.76 15.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.242 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.693 HD12 ' O ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -53.55 -57.81 9.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.1 OUTLIER -42.69 -64.67 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.044 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -40.52 -29.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 68' ' ' SER . . . 102.83 28.18 6.35 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.526 ' CD1' ' CG ' ' A' ' 12' ' ' TYR . 26.3 m-85 -89.27 -20.3 24.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 0.775 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.693 ' O ' HD12 ' A' ' 67' ' ' LEU . 15.5 mt -132.95 118.79 19.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.412 ' HB2' ' CZ ' ' A' ' 100' ' ' TYR . 92.1 mm-40 -91.93 144.16 28.84 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 136.82 20.83 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.542 1.812 . . . . 0.0 110.958 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.452 ' HB1' ' CE1' ' A' ' 34' ' ' PHE . . . -125.65 72.66 1.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 149.23 164.01 11.34 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.457 1.098 . . . . 0.0 110.981 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.86 -46.45 81.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 0.792 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 tt -47.39 -62.09 1.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.691 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 88.0 p -55.33 -53.84 51.06 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.564 1.165 . . . . 0.0 109.985 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -40.77 -68.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -43.8 -47.65 8.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.813 ' HB1' ' O ' ' A' ' 90' ' ' PRO . . . -46.32 -56.15 6.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.81 55.18 2.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -137.46 -61.15 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.263 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -179.71 38.06 0.07 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.422 HD13 ' HA ' ' A' ' 86' ' ' ILE . 4.4 mm -71.04 -64.97 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.405 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -152.95 -143.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.79 9.85 40.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -134.23 108.16 11.35 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.813 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 18.5 Cg_endo -74.95 -37.97 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.789 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.547 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 2.7 t80 -76.37 140.78 41.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 94' ' ' SER . 45.2 mt -123.07 112.87 18.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -68.61 68.1 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 92' ' ' LEU . 1.1 t -135.4 147.02 60.22 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.999 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -11.86 21.39 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.797 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.558 ' O ' ' CE2' ' A' ' 98' ' ' PHE . 2.9 m-20 -80.93 -44.26 18.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.01 122.04 16.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.558 ' CE2' ' O ' ' A' ' 96' ' ' ASP . 78.3 m-85 -112.61 151.39 30.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.414 ' CE1' ' HB2' ' A' ' 79' ' ' SER . 64.2 m-85 -146.51 168.01 22.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.412 ' CZ ' ' HB2' ' A' ' 73' ' ' GLN . 27.8 p90 -159.19 161.95 36.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 18.7 m-85 -80.81 142.82 53.01 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.952 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 101' ' ' PHE . 18.3 Cg_endo -75.01 70.15 5.38 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.462 1.769 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -176.07 -39.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.951 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.745 HD22 ' CD2' ' A' ' 66' ' ' LEU . 57.8 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -33.0 -69.16 0.16 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.53 -44.7 46.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 109.263 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.888 HD13 ' N ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -59.17 -53.51 57.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.888 ' N ' HD13 ' A' ' 11' ' ' LEU . 17.9 t80 -53.17 -41.87 65.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 16' ' ' LYS . 31.4 mt -57.72 -36.88 72.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -47.5 73.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 109.997 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.7 mtt -49.79 -38.85 36.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.95 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -50.67 -45.98 58.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.47 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 2.5 t0 -54.22 113.23 4.8 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -0.67 10.26 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.532 1.806 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -119.25 -54.61 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -94.13 12.4 26.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.47 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -135.83 -151.64 6.2 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.737 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -71.25 153.29 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.756 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.07 146.74 24.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -124.19 105.71 9.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.449 HD22 ' N ' ' A' ' 25' ' ' LEU . 2.2 mm? -98.82 162.83 12.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.401 ' ND2' ' H ' ' A' ' 26' ' ' ASN . 2.5 p30 -87.54 86.65 7.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 mt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.9 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -96.26 107.51 19.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.532 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 6.5 m-80 -94.58 35.96 1.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.532 ' CD2' ' O ' ' A' ' 35' ' ' ASN . 6.6 m-70 -179.36 47.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.554 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.597 ' C ' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -120.33 170.08 9.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 108.308 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.652 ' O ' HG23 ' A' ' 39' ' ' THR . 3.6 mt -119.85 -148.64 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 38' ' ' LEU . 5.3 p -158.82 127.54 5.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.364 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -38.67 -45.8 2.06 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.85 -57.37 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.981 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -44.21 -45.97 8.11 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.119 . . . . 0.0 110.958 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.737 ' HA ' HD11 ' A' ' 22' ' ' ILE . 69.4 t -52.37 -49.31 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.553 HG21 ' HG3' ' A' ' 56' ' ' ARG . 43.1 mt -73.1 -21.85 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.438 ' O ' ' CB ' ' A' ' 49' ' ' SER . 3.7 t70 -72.49 -39.79 67.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.538 ' CG ' HG13 ' A' ' 22' ' ' ILE . 87.0 t90 -68.15 -33.48 74.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 108.016 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 1.034 HD23 HD12 ' A' ' 52' ' ' LEU . 86.3 mt -67.24 -53.39 30.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.4 ' O ' ' CE ' ' A' ' 51' ' ' LYS . 78.7 t -68.52 -39.89 81.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 45' ' ' ASP . 3.0 m -50.89 -52.78 38.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.959 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -82.16 -16.36 50.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.4 ' CE ' ' O ' ' A' ' 48' ' ' VAL . 3.2 mmtt 77.97 69.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 1.034 HD12 HD23 ' A' ' 47' ' ' LEU . 15.3 mt -100.14 -14.88 18.36 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.414 1.071 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.416 ' HB ' ' CB ' ' A' ' 58' ' ' GLU . 5.0 m -133.8 -172.47 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.6 mtt180 -88.3 -24.19 23.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.711 HD22 ' N ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -176.12 167.53 2.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.343 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.553 ' HG3' HG21 ' A' ' 44' ' ' ILE . 3.5 ttm180 -43.58 -46.68 7.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -43.82 -63.26 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.416 ' CB ' ' HB ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -49.17 -49.2 43.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.538 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -53.14 -48.17 59.4 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.537 1.148 . . . . 0.0 111.057 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.95 -51.53 23.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 0.771 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 15.9 mtm -62.59 -56.94 13.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 111.05 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 63' ' ' SER . 43.9 mm -48.86 -55.52 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.555 ' HB3' ' CD2' ' A' ' 91' ' ' PHE . 2.9 m -37.83 -54.86 1.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.966 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -46.76 -52.42 14.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.1 -42.75 19.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.777 HD11 ' CD1' ' A' ' 11' ' ' LEU . 1.6 mm? -65.6 -53.44 41.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.422 ' CD2' ' HB2' ' A' ' 90' ' ' PRO . 1.7 tp -54.66 -51.53 65.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.26 -63.88 0.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 110.016 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -41.47 -37.87 1.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 111.15 20.24 7.21 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.609 ' CD1' ' CD2' ' A' ' 12' ' ' TYR . 32.1 m-85 -79.15 -19.63 50.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 0.751 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.5 mt -129.33 121.34 27.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.54 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . 65.2 mm-40 -97.1 143.7 26.58 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.23 4.53 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.515 1.797 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.579 ' HB2' ' CD1' ' A' ' 100' ' ' TYR . . . -107.53 98.14 7.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 136.55 -136.12 8.17 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -126.75 -51.85 1.46 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.753 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.43 -31.6 55.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 52.0 p -76.08 -23.45 55.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.021 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -76.02 -24.71 55.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -82.16 -17.77 45.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.796 ' HB1' ' O ' ' A' ' 90' ' ' PRO . . . -70.1 -42.96 72.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.37 30.06 2.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.335 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.63 -63.48 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.165 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 158.6 42.74 0.02 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.582 HG22 ' N ' ' A' ' 87' ' ' ALA . 13.8 mt -60.91 -80.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 0.77 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.582 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -133.93 -140.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.93 7.89 42.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -135.65 106.51 9.91 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.796 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 18.5 Cg_endo -74.9 -41.02 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.535 1.808 . . . . 0.0 111.041 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.555 ' CD2' ' HB3' ' A' ' 63' ' ' SER . 3.9 t80 -62.54 149.18 43.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 94' ' ' SER . 18.1 mt -125.32 111.29 15.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -69.6 63.99 0.18 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.355 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 92' ' ' LEU . 1.6 t -134.77 145.37 54.5 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.995 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -4.23 15.1 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.51 ' O ' ' CE1' ' A' ' 98' ' ' PHE . 7.2 m-20 -86.0 -54.28 4.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -53.34 122.45 9.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.51 ' CE1' ' O ' ' A' ' 96' ' ' ASP . 25.3 m-85 -109.61 155.07 21.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 38' ' ' LEU . 95.8 m-85 -153.96 162.87 40.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.579 ' CD1' ' HB2' ' A' ' 75' ' ' ALA . 15.3 p90 -150.88 161.86 41.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.636 ' CE1' HD11 ' A' ' 38' ' ' LEU . 10.6 m-85 -84.2 139.36 39.23 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 71.64 4.98 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.474 1.776 . . . . 0.0 111.01 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 176.77 -42.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.364 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.972 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.541 HD22 ' HG ' ' A' ' 66' ' ' LEU . 9.2 mt . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -36.58 -73.13 0.13 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -42.79 -45.93 5.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 0.797 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.661 HD21 HD11 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -58.92 -56.44 22.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.59 ' CD2' ' CD1' ' A' ' 71' ' ' TYR . 21.7 t80 -50.94 -46.43 60.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.8 mt -50.74 -39.13 51.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.85 -48.23 63.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.991 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.1 mtt -45.96 -28.37 1.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 111.048 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.58 -45.9 88.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.493 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.3 t70 -53.74 113.64 5.2 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -1.46 11.24 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.532 1.806 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -118.29 -54.24 2.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.344 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -95.09 13.08 26.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.493 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -137.24 -154.54 6.69 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.84 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -76.07 151.89 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.764 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.08 161.08 14.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.491 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -132.34 121.46 23.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.294 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.31 170.66 7.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -96.06 84.97 3.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.153 . . . . 0.0 109.271 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.8 t . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -70.66 101.4 2.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -93.47 151.27 19.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.441 ' ND1' ' OE2' ' A' ' 24' ' ' GLU . 46.4 m-70 53.59 39.92 30.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 109.575 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.686 ' C ' HD23 ' A' ' 38' ' ' LEU . 1.7 m -115.83 174.84 5.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 108.301 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.686 HD23 ' C ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -127.52 -150.37 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.527 ' O ' HG23 ' A' ' 43' ' ' VAL . 4.1 p -142.74 -168.51 2.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.414 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.97 -44.4 1.64 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 t -75.84 -52.78 9.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 0.755 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -48.26 -47.04 28.05 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.438 1.086 . . . . 0.0 110.963 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.84 ' HA ' HD11 ' A' ' 22' ' ' ILE . 42.8 t -45.9 -41.53 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.961 ' HA ' HD12 ' A' ' 47' ' ' LEU . 12.9 mt -77.34 -42.12 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -51.5 -40.11 58.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.511 ' CG ' HG13 ' A' ' 22' ' ' ILE . 78.7 t90 -65.39 -40.18 93.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 107.989 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.961 HD12 ' HA ' ' A' ' 44' ' ' ILE . 13.1 mt -59.82 -46.91 87.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.2 t -71.93 -44.31 67.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.53 -48.78 38.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.987 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.41 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 10.6 m-80 -81.02 -19.9 42.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 4.9 mmtt 81.04 68.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.948 HD12 HD23 ' A' ' 47' ' ' LEU . 13.8 mt -102.48 -21.4 14.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.9 m -131.56 -171.79 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -97.92 -23.4 15.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.284 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.631 HD22 ' N ' ' A' ' 55' ' ' ASN . 0.1 OUTLIER -159.5 174.89 13.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.735 ' HD2' HG21 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -61.41 -41.89 97.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.324 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.496 ' CB ' ' OD1' ' A' ' 55' ' ' ASN . 5.2 tm0? -48.0 -67.34 0.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 57' ' ' GLN . 1.3 tt0 -38.13 -50.1 1.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.563 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -54.77 -44.58 80.63 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.9 OUTLIER -48.96 -55.4 11.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.757 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 29.6 mtm -56.38 -53.58 55.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 63' ' ' SER . 27.0 mm -55.58 -52.06 51.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.573 ' HB3' ' CD2' ' A' ' 91' ' ' PHE . 43.0 m -39.27 -56.32 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.586 ' HB1' ' HD2' ' A' ' 90' ' ' PRO . . . -47.45 -48.82 26.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.58 -37.74 63.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.661 HD11 HD21 ' A' ' 11' ' ' LEU . 7.5 mt -69.41 -54.52 14.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -56.2 -57.42 12.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -42.1 -65.44 0.46 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -39.04 -38.91 0.5 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.426 1.079 . . . . 0.0 110.293 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 113.84 22.41 5.35 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.59 ' CD1' ' CD2' ' A' ' 12' ' ' TYR . 33.4 m-85 -82.24 -14.68 55.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 0.782 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.413 ' O ' HD12 ' A' ' 67' ' ' LEU . 13.9 mt -137.43 117.82 13.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.414 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 49.4 mm-40 -88.67 138.34 29.82 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -75.02 142.7 28.1 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.483 1.78 . . . . 0.0 110.948 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -136.83 113.33 10.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 128.92 -120.7 3.35 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.138 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.88 -48.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 0.738 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.417 ' CD2' HD22 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -47.19 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.74 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 1.3 m -47.52 -36.16 9.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -59.11 -47.26 85.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -57.69 -17.89 17.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.876 ' HA ' HD12 ' A' ' 86' ' ' ILE . . . -72.44 -56.83 4.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.1 -14.0 32.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -53.59 -64.88 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 157.82 43.74 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.477 1.11 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.876 HD12 ' HA ' ' A' ' 82' ' ' ALA . 24.0 mt -64.91 -72.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.481 0.754 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.442 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -145.29 -138.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.89 11.25 37.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -129.37 85.31 59.52 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.625 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 18.5 Cg_endo -74.96 -21.05 16.35 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.499 1.789 . . . . 0.0 111.009 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.656 ' C ' HD12 ' A' ' 92' ' ' LEU . 6.0 t80 -84.13 131.25 34.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.706 HD12 ' N ' ' A' ' 92' ' ' LEU . 1.0 OUTLIER -106.04 108.79 20.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.431 ' OD1' ' NE ' ' A' ' 56' ' ' ARG . 6.3 t0 -69.39 67.42 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -145.02 152.42 51.37 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.97 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -8.34 19.92 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.499 1.789 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.44 ' O ' ' CE1' ' A' ' 98' ' ' PHE . 4.7 m-20 -76.94 -55.8 5.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.07 129.19 37.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.118 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.44 ' CE1' ' O ' ' A' ' 96' ' ' ASP . 25.0 m-85 -115.9 137.5 52.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 111.037 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 79' ' ' SER . 32.8 m-85 -135.96 158.1 45.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -152.2 147.93 26.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.421 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 22.3 m-85 -66.96 150.26 97.99 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 73.73 4.23 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.477 1.777 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 p30 174.79 -42.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.006 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.778 HD22 ' CD2' ' A' ' 66' ' ' LEU . 65.3 mt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -38.59 -71.0 0.26 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.55 1.156 . . . . 0.0 110.992 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.55 -45.46 9.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.641 ' CD2' HD11 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -59.05 -56.12 26.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.604 ' CG ' ' CD1' ' A' ' 71' ' ' TYR . 22.2 t80 -50.94 -43.5 60.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 13' ' ' LEU . 27.9 mt -54.69 -40.39 69.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.01 -51.01 64.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 101' ' ' PHE . 11.4 mtt -45.38 -25.04 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -67.78 -44.98 76.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.468 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.2 t70 -55.51 115.33 9.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -2.31 12.38 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.483 1.781 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -118.72 -54.25 2.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -93.59 13.56 21.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.468 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -138.63 -153.73 6.26 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.923 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -75.97 152.52 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 0.794 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.641 ' HB3' HD21 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -82.47 176.1 9.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.361 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.7 ' C ' HD22 ' A' ' 25' ' ' LEU . 34.5 mt-10 -142.03 100.0 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.738 HD22 ' N ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -121.03 149.64 42.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.334 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -77.89 144.95 36.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.254 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.9 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -70.77 104.03 2.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -89.54 159.15 17.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.254 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 42.3 70.72 0.26 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.595 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.1 m -130.38 164.62 24.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 108.295 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.727 ' O ' HG23 ' A' ' 39' ' ' THR . 0.3 OUTLIER -122.98 -155.45 0.65 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.834 ' O ' HG13 ' A' ' 43' ' ' VAL . 1.9 p -160.82 136.76 8.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 110.399 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.53 -25.74 35.99 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.438 ' O ' ' NH2' ' A' ' 56' ' ' ARG . 7.4 t -84.69 -38.01 20.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.36 -41.35 25.95 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.923 ' HA ' HD11 ' A' ' 22' ' ' ILE . 17.4 m -55.53 -55.38 17.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 0.754 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.74 ' HA ' HD12 ' A' ' 47' ' ' LEU . 79.8 mt -54.92 -41.62 59.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -56.27 -36.95 69.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.516 ' CG ' HG13 ' A' ' 22' ' ' ILE . 83.1 t90 -70.75 -34.91 72.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 107.981 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.74 HD12 ' HA ' ' A' ' 44' ' ' ILE . 67.8 mt -61.26 -51.53 68.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 41.3 t -69.08 -46.06 78.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.56 1.163 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.82 -52.37 8.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.985 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.432 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 14.6 m-80 -77.0 -21.99 53.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 5.2 mmtt 83.44 53.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.498 HD12 HD23 ' A' ' 47' ' ' LEU . 11.5 mt -83.92 -29.27 27.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.49 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 2.4 m -127.35 -175.5 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -97.03 -28.09 14.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.478 ' N ' ' ND2' ' A' ' 55' ' ' ASN . 0.2 OUTLIER -147.65 169.57 19.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.256 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.463 ' HG3' ' CG2' ' A' ' 44' ' ' ILE . 5.5 ttt-85 -60.32 -43.94 95.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.408 ' O ' ' HB3' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -46.43 -61.83 1.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.364 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.49 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 1.9 mt-10 -44.38 -45.01 8.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -57.73 -44.05 94.27 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.408 ' HB3' ' O ' ' A' ' 57' ' ' GLN . 4.7 tp -53.81 -63.89 1.0 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 0.758 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.484 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 28.2 mtm -48.59 -54.02 16.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 65' ' ' SER . 8.4 mm -52.84 -57.45 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.584 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 3.4 m -37.59 -48.45 1.02 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 61' ' ' MET . . . -48.79 -50.39 34.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.2 OUTLIER -55.08 -40.16 70.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.032 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.778 ' CD2' HD22 ' A' ' 8' ' ' LEU . 1.2 mm? -65.13 -56.26 13.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.511 ' CD1' ' CE1' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -54.21 -58.03 8.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -42.76 -64.62 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.005 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 68' ' ' SER . 53.1 mm-40 -38.62 -36.86 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 112.14 16.89 8.67 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.604 ' CD1' ' CG ' ' A' ' 12' ' ' TYR . 34.6 m-85 -75.71 -24.66 56.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 0.785 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.486 ' O ' HD12 ' A' ' 67' ' ' LEU . 20.7 mt -130.84 114.82 15.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -91.53 137.8 25.64 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 148.53 35.49 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.472 1.775 . . . . 0.0 111.047 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.41 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -149.96 105.25 3.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 125.64 -122.97 4.74 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.488 1.118 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.525 ' HB3' HD12 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -131.7 -172.9 2.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 0.787 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.525 HD12 ' HB3' ' A' ' 77' ' ' ASP . 8.6 mp 64.45 -77.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.813 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 12.8 p -44.81 -67.26 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.437 ' C ' ' N ' ' A' ' 82' ' ' ALA . 2.6 ttpp -46.53 -65.7 0.52 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -40.25 -30.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.813 ' HB3' ' O ' ' A' ' 79' ' ' SER . . . -68.04 -63.79 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -45.14 -26.67 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 82' ' ' ALA . 1.2 t0 -58.35 -61.73 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 164.42 57.32 0.02 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.702 HG22 ' N ' ' A' ' 87' ' ' ALA . 3.3 mm -75.36 -78.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.702 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -132.5 -144.79 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.04 7.78 45.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -135.35 105.99 10.16 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.421 ' O ' ' CD1' ' A' ' 92' ' ' LEU . 18.3 Cg_endo -74.97 -24.6 12.72 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.779 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.671 ' C ' HD12 ' A' ' 92' ' ' LEU . 1.5 t80 -86.64 129.93 34.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.698 HD12 ' N ' ' A' ' 92' ' ' LEU . 1.1 mp -107.98 107.64 18.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.553 ' OD1' HD12 ' A' ' 44' ' ' ILE . 11.2 t0 -67.46 69.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -147.0 152.41 43.68 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.015 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.4 ' HA ' ' HB ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -74.96 -9.39 20.81 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.529 1.805 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.66 -47.71 25.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.83 115.54 5.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -102.92 140.55 37.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.511 ' CE1' ' CD1' ' A' ' 67' ' ' LEU . 58.0 m-85 -139.64 150.5 45.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.41 ' CE1' ' HB2' ' A' ' 75' ' ' ALA . 30.9 p90 -142.89 142.88 31.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.41 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 32.6 m-85 -64.72 147.86 97.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 76.55 3.38 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.518 1.799 . . . . 0.0 110.961 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 172.15 -34.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.992 -179.956 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.507 ' O ' ' C ' ' A' ' 9' ' ' GLY . 6.0 mp . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.507 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -28.7 -69.45 0.07 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.48 1.113 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.22 -56.13 10.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 0.797 . . . . 0.0 109.335 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.01 ' CD1' HD21 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -51.06 -56.3 13.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.974 ' N ' HD13 ' A' ' 11' ' ' LEU . 37.8 t80 -50.85 -52.24 43.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.531 HD23 ' HE3' ' A' ' 16' ' ' LYS . 20.4 mt -43.09 -40.75 3.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.61 -50.07 66.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.053 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 8.3 mtp -48.94 -30.04 5.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 111.048 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.531 ' HE3' HD23 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -61.98 -40.5 95.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.505 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 2.5 t0 -56.5 112.99 5.13 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -0.7 10.27 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.528 1.804 . . . . 0.0 111.044 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -118.03 -54.68 2.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.6 mtmm -97.76 16.12 21.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.505 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -139.62 -154.92 6.45 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.827 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -69.97 158.21 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 0.761 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.695 ' HB3' HD21 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -94.43 144.2 25.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.621 ' C ' HD22 ' A' ' 25' ' ' LEU . 20.7 mt-10 -114.11 107.17 15.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.695 HD21 ' HB3' ' A' ' 23' ' ' LYS . 1.2 mm? -120.34 161.23 21.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.818 HD21 HG13 ' A' ' 33' ' ' VAL . 1.1 t30 -88.14 125.38 34.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.1 mt . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.818 HG13 HD21 ' A' ' 26' ' ' ASN . 38.4 t . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.701 ' CE1' ' HB1' ' A' ' 75' ' ' ALA . 48.5 m-85 -71.08 108.21 4.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.538 ' HB3' ' CD2' ' A' ' 36' ' ' HIS . 4.8 m-80 -82.68 149.64 27.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.538 ' CD2' ' HB3' ' A' ' 35' ' ' ASN . 3.2 m-70 39.92 55.59 2.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.61 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.674 ' O ' HD23 ' A' ' 38' ' ' LEU . 0.8 OUTLIER -106.61 170.38 7.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 108.33 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.799 HD11 ' CZ ' ' A' ' 101' ' ' PHE . 1.1 mt -131.69 -149.17 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 38' ' ' LEU . 2.7 p -159.94 127.99 4.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -37.91 -45.96 1.66 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 t -69.31 -59.07 3.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 0.0 110.015 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -48.06 -50.52 21.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.827 ' HA ' HD11 ' A' ' 22' ' ' ILE . 56.1 t -44.04 -45.48 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.489 0.758 . . . . 0.0 109.294 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.943 ' HA ' HD12 ' A' ' 47' ' ' LEU . 19.4 mt -73.46 -45.2 52.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -44.87 -45.86 10.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.516 ' CG ' HG13 ' A' ' 22' ' ' ILE . 86.6 t90 -60.57 -47.85 84.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 107.999 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 1.0 HD23 HD12 ' A' ' 52' ' ' LEU . 15.5 mt -51.99 -56.9 11.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.7 t -62.16 -47.36 93.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.86 -52.05 12.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.017 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.421 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 9.5 m-80 -81.18 -19.84 42.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 47' ' ' LEU . 4.1 mmtt 81.67 62.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 1.0 HD12 HD23 ' A' ' 47' ' ' LEU . 13.1 mt -95.47 -15.09 23.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.435 ' HB ' ' CB ' ' A' ' 58' ' ' GLU . 6.5 m -138.48 -175.01 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -82.3 -29.14 31.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.252 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -169.12 -178.02 3.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.687 ' HD2' HG21 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -55.72 -38.28 69.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 58' ' ' GLU . 1.5 tm0? -52.27 -71.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 110.327 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.435 ' CB ' ' HB ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -38.26 -51.54 1.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.552 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -50.77 -50.11 38.6 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.442 1.089 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.402 HD22 ' O ' ' A' ' 60' ' ' LEU . 1.6 tm? -47.52 -54.04 12.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 0.0 109.343 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 24.9 mtp -58.68 -52.92 63.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.2 mm -55.51 -49.7 71.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.561 ' HB3' ' CD2' ' A' ' 91' ' ' PHE . 5.1 m -41.27 -56.03 2.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.958 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.551 ' HB1' ' HD2' ' A' ' 90' ' ' PRO . . . -44.11 -46.49 8.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.0 -39.46 63.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.03 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 1.01 HD21 ' CD1' ' A' ' 11' ' ' LEU . 16.4 mt -67.62 -56.39 9.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.632 HD12 ' O ' ' A' ' 72' ' ' LEU . 15.9 tp -52.02 -56.72 12.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -38.63 -67.42 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 110.041 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -42.24 -36.37 1.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.332 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 111.49 28.86 3.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.56 1.163 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.687 ' C ' HD22 ' A' ' 72' ' ' LEU . 24.4 m-85 -83.82 -21.1 32.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.766 . . . . 0.0 111.003 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.687 HD22 ' C ' ' A' ' 71' ' ' TYR . 2.7 mm? -121.95 121.79 37.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.575 ' CB ' ' CZ ' ' A' ' 100' ' ' TYR . 24.0 mm-40 -96.63 132.64 25.86 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.99 134.29 17.66 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.528 1.804 . . . . 0.0 111.033 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.701 ' HB1' ' CE1' ' A' ' 34' ' ' PHE . . . -138.37 88.02 2.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 115.2 176.85 18.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 79' ' ' SER . 6.3 t0 -56.09 -176.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 0.798 . . . . 0.0 109.348 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.0 mp 64.13 -79.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.718 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 0.4 OUTLIER -48.03 -64.52 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.036 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.59 -64.05 0.57 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.451 ' O ' ' CB ' ' A' ' 84' ' ' ASP . 0.6 OUTLIER -51.68 -44.74 63.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.999 ' HB1' ' O ' ' A' ' 90' ' ' PRO . . . -42.95 -54.62 4.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.02 48.0 1.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.359 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.451 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 16.8 t70 -116.42 -65.1 1.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 170.89 38.76 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.438 1.086 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.743 HD12 ' HA ' ' A' ' 82' ' ' ALA . 11.9 mt -65.48 -78.06 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 0.758 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.522 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -136.77 -140.29 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.39 -17.01 25.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -107.78 103.13 48.35 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.999 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 18.2 Cg_endo -75.06 -27.9 9.53 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 63' ' ' SER . 1.8 t80 -79.26 140.25 37.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 94' ' ' SER . 44.5 mt -115.48 109.25 17.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.443 ' OD1' ' NE ' ' A' ' 56' ' ' ARG . 5.0 t70 -68.14 69.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -140.08 149.88 60.02 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.032 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -9.55 20.83 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.792 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.424 ' O ' ' CE1' ' A' ' 98' ' ' PHE . 0.8 OUTLIER -79.3 -66.31 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -42.34 119.94 1.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.424 ' CE1' ' O ' ' A' ' 96' ' ' ASP . 22.5 m-85 -107.52 144.95 33.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.439 ' CE1' HD13 ' A' ' 67' ' ' LEU . 26.5 m-85 -142.87 148.67 37.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.575 ' CZ ' ' CB ' ' A' ' 73' ' ' GLN . 35.1 p90 -138.01 144.33 41.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.799 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 14.2 m-85 -69.2 135.12 89.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 66.19 6.02 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.528 1.804 . . . . 0.0 111.03 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -179.86 -39.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.526 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.012 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 9' ' ' GLY . 5.8 mp . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -33.86 -72.94 0.09 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.01 -51.42 5.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 0.747 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.958 HD21 ' CD1' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -55.53 -56.34 21.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.494 ' CG ' ' CD1' ' A' ' 71' ' ' TYR . 34.3 t80 -52.14 -48.12 65.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.9 mt -48.45 -40.24 25.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.48 -48.96 63.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.4 mtt -48.27 -22.76 0.72 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.44 -42.7 74.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.47 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.7 t70 -56.32 114.77 8.31 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -1.13 10.84 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -119.27 -54.1 2.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.27 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -95.58 15.27 20.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.47 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -138.24 -155.52 6.82 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.913 HG21 HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -71.84 154.01 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.74 . . . . 0.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -91.43 158.25 16.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.557 ' C ' HD22 ' A' ' 25' ' ' LEU . 6.9 mt-10 -117.81 107.86 14.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.632 HD22 ' N ' ' A' ' 25' ' ' LEU . 1.7 mm? -114.28 170.1 8.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -110.79 121.34 45.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.84 HD12 ' SG ' ' A' ' 37' ' ' CYS . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -81.85 104.01 11.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -93.59 147.56 22.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 56.79 44.42 23.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.098 . . . . 0.0 109.566 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.84 ' SG ' HD12 ' A' ' 27' ' ' LEU . 29.7 p -117.32 169.71 9.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 108.323 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.913 HD22 HG21 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -115.39 -149.47 0.45 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.362 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.588 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.4 p -156.25 129.55 8.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.413 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -38.66 -56.18 2.07 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.544 1.153 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.449 ' O ' ' NH2' ' A' ' 56' ' ' ARG . 4.8 t -62.06 -61.22 2.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 0.784 . . . . 0.0 109.993 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -39.75 -46.93 3.07 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.792 ' HA ' HD11 ' A' ' 22' ' ' ILE . 75.4 t -50.49 -58.1 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.62 HG23 ' HA3' ' A' ' 59' ' ' GLY . 56.3 mt -63.88 -26.02 39.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.539 ' N ' HH21 ' A' ' 56' ' ' ARG . 0.9 OUTLIER -70.15 -47.23 62.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.505 ' CG ' HG13 ' A' ' 22' ' ' ILE . 80.8 t90 -59.86 -29.03 68.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 108.003 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.904 HD23 HD12 ' A' ' 52' ' ' LEU . 84.2 mt -68.5 -52.76 28.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 49.3 t -68.77 -37.32 77.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.35 -51.29 62.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.983 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.438 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 9.7 m-80 -80.86 -20.83 41.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 8.8 mmtt 84.33 58.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.904 HD12 HD23 ' A' ' 47' ' ' LEU . 12.2 mt -93.01 -22.03 19.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.422 ' HB ' ' CB ' ' A' ' 58' ' ' GLU . 34.1 m -131.79 -178.1 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -96.72 -29.44 13.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -152.98 155.31 36.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.539 HH21 ' N ' ' A' ' 45' ' ' ASP . 4.2 mtp180 -43.13 -43.13 4.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 110.346 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.1 tm0? -44.79 -63.19 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.422 ' CB ' ' HB ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -46.08 -49.81 15.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.259 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.62 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -54.48 -44.54 77.68 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.554 1.159 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.602 HD11 ' O ' ' A' ' 91' ' ' PHE . 14.3 tp -55.08 -63.68 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 31.6 mtm -45.87 -51.03 13.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 65' ' ' SER . 9.5 mm -57.22 -55.97 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.072 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 91' ' ' PHE . 58.4 m -38.44 -53.84 1.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.014 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.5 ' HB1' ' HD2' ' A' ' 90' ' ' PRO . . . -47.9 -47.68 31.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.2 OUTLIER -56.87 -36.93 70.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.958 ' CD1' HD21 ' A' ' 11' ' ' LEU . 17.7 mt -69.6 -58.03 4.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.542 1.152 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.675 HD12 ' O ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -50.06 -59.4 3.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.2 OUTLIER -39.5 -68.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.997 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -38.41 -32.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.334 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 107.38 26.13 5.79 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.534 1.147 . . . . 0.0 110.98 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.494 ' CD1' ' CG ' ' A' ' 12' ' ' TYR . 27.8 m-85 -85.01 -23.9 28.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 111.038 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.675 ' O ' HD12 ' A' ' 67' ' ' LEU . 10.7 mt -129.32 110.36 11.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.514 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . 30.0 mm-40 -73.53 130.6 83.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -74.99 129.12 12.06 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.538 1.81 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.704 ' HB2' ' HE2' ' A' ' 100' ' ' TYR . . . -133.55 163.34 29.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.35 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.47 -123.91 6.98 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -141.41 -56.17 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 0.768 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.475 ' CD1' ' HB3' ' A' ' 96' ' ' ASP . 3.4 mt -41.24 -78.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 109.292 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.664 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -38.07 -64.28 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 81' ' ' ASN . 0.4 OUTLIER -42.55 -63.37 0.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 80' ' ' LYS . 0.4 OUTLIER -38.61 -32.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 79' ' ' SER . . . -75.37 -59.95 2.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -44.56 -26.76 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.412 ' N ' ' C ' ' A' ' 82' ' ' ALA . 0.4 OUTLIER -56.34 -60.42 3.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 161.44 62.9 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.592 HG22 ' N ' ' A' ' 87' ' ' ALA . 3.7 mm -81.56 -75.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.592 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -142.04 -144.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.09 12.67 27.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -136.42 93.7 14.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.5 ' HD2' ' HB1' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -75.01 -23.99 13.23 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.479 1.778 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.602 ' O ' HD11 ' A' ' 60' ' ' LEU . 5.2 t80 -84.48 127.27 33.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.637 HD12 ' N ' ' A' ' 92' ' ' LEU . 2.5 mp -104.37 125.62 50.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 93' ' ' ASP . 21.5 t0 -69.87 59.16 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -148.1 142.17 16.24 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.983 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.613 ' O ' ' CE1' ' A' ' 98' ' ' PHE . 18.3 Cg_endo -74.97 1.24 7.94 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.519 1.8 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.608 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 3.4 m-20 -83.05 -54.93 4.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.529 ' HB1' ' HB2' ' A' ' 79' ' ' SER . . . -42.08 -32.32 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.613 ' CE1' ' O ' ' A' ' 95' ' ' PRO . 22.1 m-85 56.78 156.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.638 ' CE1' HD13 ' A' ' 67' ' ' LEU . 6.9 m-85 -169.0 131.76 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.704 ' HE2' ' HB2' ' A' ' 75' ' ' ALA . 36.7 p90 -135.37 149.83 49.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.78 ' CE1' HD11 ' A' ' 38' ' ' LEU . 14.6 m-85 -68.62 141.71 93.24 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 75.67 3.65 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.7 t70 178.65 -37.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.98 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.541 ' HA ' HD23 ' A' ' 11' ' ' LEU . 38.8 mt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -36.87 -72.09 0.17 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.96 -43.94 6.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 0.768 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.772 ' CD2' HD21 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -60.39 -55.08 37.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.599 ' CD2' ' CD1' ' A' ' 71' ' ' TYR . 18.6 t80 -52.25 -45.36 65.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.8 mt -52.69 -38.19 60.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.32 -43.88 69.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.016 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 10.6 mtt -53.27 -19.21 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.962 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -72.48 -39.46 67.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.491 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 2.4 t70 -58.38 112.42 4.89 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.01 9.42 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.542 1.812 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -118.84 -54.59 2.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.44 17.51 18.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -138.0 -155.9 6.98 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.411 1.069 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.829 HG21 HD13 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -75.19 142.76 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 109.332 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.488 ' HD3' ' N ' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -93.65 138.8 31.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.171 . . . . 0.0 109.327 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.545 ' HA ' HD23 ' A' ' 38' ' ' LEU . 1.3 pt-20 -109.79 96.62 6.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.335 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.21 155.14 19.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -86.72 130.39 34.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.823 HD12 ' SG ' ' A' ' 37' ' ' CYS . 6.6 mt . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.9 t . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -76.35 104.11 6.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -87.27 131.98 34.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 74.15 44.89 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.63 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.823 ' SG ' HD12 ' A' ' 27' ' ' LEU . 20.1 p -112.21 160.11 17.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 108.313 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.829 HD13 HG21 ' A' ' 22' ' ' ILE . 8.1 mt -117.82 -145.2 0.38 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.934 ' O ' HG23 ' A' ' 43' ' ' VAL . 2.3 p -159.62 133.97 7.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -46.08 -50.88 11.87 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.464 1.102 . . . . 0.0 111.051 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.421 ' OG ' ' N ' ' A' ' 42' ' ' GLY . 0.8 OUTLIER -64.56 -60.57 2.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 109.998 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.421 ' N ' ' OG ' ' A' ' 41' ' ' SER . . . -47.65 -37.74 14.17 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 111.039 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.934 HG23 ' O ' ' A' ' 39' ' ' THR . 71.0 t -59.12 -45.11 92.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 109.245 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.689 ' HA ' HD12 ' A' ' 47' ' ' LEU . 49.7 mt -76.3 -26.31 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -65.11 -44.24 89.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.528 ' CG ' HG13 ' A' ' 22' ' ' ILE . 78.7 t90 -62.8 -33.15 74.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 107.985 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.908 HD23 HD12 ' A' ' 52' ' ' LEU . 44.2 mt -63.73 -53.32 52.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 40.5 t -68.56 -44.66 82.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 44.2 p -44.93 -54.22 6.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.426 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 9.4 m-80 -78.81 -20.99 48.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 3.9 mmtt 82.69 60.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.908 HD12 HD23 ' A' ' 47' ' ' LEU . 12.9 mt -92.56 -20.86 20.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.427 ' HB ' ' CB ' ' A' ' 58' ' ' GLU . 29.4 m -130.28 -174.1 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.4 mtt180 -93.24 -24.51 18.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.36 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.436 ' OD1' ' CB ' ' A' ' 57' ' ' GLN . 1.1 p30 -165.05 178.77 6.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -38.53 81.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.436 ' CB ' ' OD1' ' A' ' 55' ' ' ASN . 5.3 tm0? -49.67 -66.61 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.427 ' CB ' ' HB ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -41.8 -50.82 4.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.272 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.416 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -54.98 -51.46 53.51 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.429 HD23 ' HB2' ' A' ' 93' ' ' ASP . 0.5 OUTLIER -45.3 -46.23 12.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.776 . . . . 0.0 109.308 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 18.1 mtm -69.0 -58.14 4.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 65' ' ' SER . 4.8 mm -49.92 -52.51 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.552 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 3.9 m -40.11 -49.41 2.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.035 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -53.94 -46.27 71.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -57.09 -35.86 69.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.97 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.772 HD21 ' CD2' ' A' ' 11' ' ' LEU . 29.1 mt -68.01 -56.52 8.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.609 HD12 ' O ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -55.06 -59.25 5.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -38.69 -65.48 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.927 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -40.29 -37.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 113.52 18.02 7.28 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.599 ' CD1' ' CD2' ' A' ' 12' ' ' TYR . 31.1 m-85 -78.14 -15.88 58.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.766 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.609 ' O ' HD12 ' A' ' 67' ' ' LEU . 16.1 mt -139.69 119.49 13.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -91.33 143.44 28.26 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.62 36.88 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.522 1.801 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.38 114.07 4.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 128.19 -117.55 2.59 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -140.78 -60.32 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 109.321 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.8 mp -41.42 -73.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.589 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 2.6 p -42.16 -51.98 4.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.024 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -51.11 -64.54 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.413 ' O ' ' CB ' ' A' ' 84' ' ' ASP . 0.3 OUTLIER -44.79 -44.44 9.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.838 ' HA ' HD12 ' A' ' 86' ' ' ILE . . . -51.98 -63.54 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -42.9 -40.63 3.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.413 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 6.8 t0 -48.52 -44.77 36.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.466 ' O ' ' HB ' ' A' ' 86' ' ' ILE . . . 164.34 -86.03 0.1 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.838 HD12 ' HA ' ' A' ' 82' ' ' ALA . 9.7 mt 70.37 -53.1 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.774 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -166.51 -132.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.54 15.38 20.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -137.46 107.04 8.49 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.709 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 18.5 Cg_endo -74.89 -44.45 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.468 1.773 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.552 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 2.5 t80 -66.56 145.01 56.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 94' ' ' SER . 51.6 mt -125.42 112.02 15.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.429 ' HB2' HD23 ' A' ' 60' ' ' LEU . 9.4 t70 -67.86 70.22 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -145.89 147.39 32.19 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.972 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -10.21 21.04 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.468 1.773 . . . . 0.0 110.978 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.479 ' O ' ' CZ ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -74.24 -45.79 45.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.31 130.28 42.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.479 ' CZ ' ' O ' ' A' ' 96' ' ' ASP . 12.9 m-85 -118.11 137.48 52.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.077 . . . . 0.0 111.032 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.501 ' CE1' HD13 ' A' ' 67' ' ' LEU . 51.6 m-85 -134.71 150.71 50.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -140.81 152.71 45.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.524 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 32.2 m-85 -71.65 146.11 90.69 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 75.95 3.55 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.539 1.81 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 177.38 -39.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.025 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.458 ' O ' ' C ' ' A' ' 9' ' ' GLY . 46.9 mt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -33.09 -72.6 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.451 1.094 . . . . 0.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.08 -43.49 14.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.884 HD13 ' N ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -60.62 -54.34 46.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.266 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.884 ' N ' HD13 ' A' ' 11' ' ' LEU . 20.4 t80 -52.97 -45.72 67.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.4 mt -50.17 -42.45 51.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -62.27 -57.35 11.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 109.969 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.961 ' SD ' HD12 ' A' ' 22' ' ' ILE . 3.9 mmt -37.55 -40.92 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -52.65 -50.1 63.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.511 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.6 t70 -49.94 119.3 9.93 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -5.8 17.25 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.503 1.791 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -115.94 -53.78 2.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 mttp -93.1 12.72 23.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.511 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -140.43 -155.09 6.42 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.129 . . . . 0.0 111.024 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.961 HD12 ' SD ' ' A' ' 15' ' ' MET . 0.1 OUTLIER -72.34 159.2 5.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 0.766 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.58 -175.99 6.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.641 ' C ' HD22 ' A' ' 25' ' ' LEU . 32.3 mt-10 -149.53 104.0 3.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.642 HD22 ' N ' ' A' ' 25' ' ' LEU . 1.4 mm? -113.42 165.59 12.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.463 ' ND2' ' H ' ' A' ' 26' ' ' ASN . 1.7 p30 -96.23 91.42 5.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.709 HD12 ' HB3' ' A' ' 37' ' ' CYS . 15.7 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.571 ' CE1' ' HB1' ' A' ' 75' ' ' ALA . 19.8 m-85 -91.76 102.18 14.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -75.03 127.02 32.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 76.48 37.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.621 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 1.023 ' O ' HD23 ' A' ' 38' ' ' LEU . 0.8 OUTLIER -102.46 172.26 6.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 108.298 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.023 HD23 ' O ' ' A' ' 37' ' ' CYS . 1.0 OUTLIER -139.37 -154.19 0.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.894 ' O ' HG13 ' A' ' 43' ' ' VAL . 13.2 p -158.23 139.41 13.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.415 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.78 -29.0 32.5 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.8 t -80.63 -43.8 19.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 110.0 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.38 -50.62 20.49 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.894 HG13 ' O ' ' A' ' 39' ' ' THR . 15.1 m -43.24 -55.2 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 0.785 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.568 ' N ' HG23 ' A' ' 43' ' ' VAL . 72.9 mt -57.31 -45.3 85.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -47.15 -40.93 16.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.605 ' CE3' ' SD ' ' A' ' 15' ' ' MET . 79.6 t90 -70.41 -35.88 73.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 108.03 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' A' ' 44' ' ' ILE . 96.2 mt -61.78 -49.84 74.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 51' ' ' LYS . 58.3 t -71.15 -46.2 67.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.19 -49.64 6.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.034 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.466 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 15.2 m-80 -78.49 -24.27 45.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.466 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 8.3 mmtt 86.27 44.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 52' ' ' LEU . 10.2 mt -73.39 -33.52 65.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.4 m -117.93 -172.55 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -100.93 -26.68 13.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.286 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -147.96 172.81 13.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.565 ' HD2' HG22 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -64.15 -42.82 96.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 60' ' ' LEU . 4.3 tt0 -51.17 -64.82 0.69 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 57' ' ' GLN . 1.1 tt0 -38.69 -50.14 1.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.31 -43.08 75.45 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 57' ' ' GLN . 1.2 tm? -53.39 -51.02 63.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 42.6 mtm -60.86 -57.4 12.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.152 . . . . 0.0 111.032 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 50.0 mm -47.59 -49.77 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.577 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 3.1 m -43.52 -54.33 4.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.007 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.89 -45.08 15.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.91 -35.95 73.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.965 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.715 HD21 ' CD1' ' A' ' 11' ' ' LEU . 41.9 mt -70.22 -58.08 4.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.627 HD12 ' O ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -52.99 -58.46 6.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 t -41.11 -64.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.97 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -40.65 -37.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.332 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 112.63 26.5 4.17 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.432 1.082 . . . . 0.0 110.964 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.567 ' CD1' ' CD2' ' A' ' 12' ' ' TYR . 33.4 m-85 -87.87 -15.03 37.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.627 ' O ' HD12 ' A' ' 67' ' ' LEU . 17.0 mt -138.78 118.83 13.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.409 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 30.7 mm-40 -92.01 141.89 25.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.331 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.98 146.31 32.56 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.801 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.571 ' HB1' ' CE1' ' A' ' 34' ' ' PHE . . . -130.29 100.07 5.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 125.53 -163.27 19.56 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.536 1.148 . . . . 0.0 110.994 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.51 -34.54 10.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 0.784 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.37 -61.9 2.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.0 p -55.47 -19.47 9.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.956 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.0 -63.77 1.34 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -41.31 -49.42 3.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 109.258 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.65 ' HB2' HD11 ' A' ' 92' ' ' LEU . . . -52.63 -55.35 23.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.09 49.08 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -134.69 -59.85 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -177.39 34.65 0.08 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.439 HD13 ' HA ' ' A' ' 86' ' ' ILE . 3.2 mm -68.83 -64.17 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.494 0.761 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.434 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -156.22 -142.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.13 -13.97 26.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.276 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -108.52 101.24 42.14 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -20.66 16.62 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.511 1.796 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 1.3 t80 -88.88 142.01 28.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.65 HD11 ' HB2' ' A' ' 82' ' ' ALA . 67.7 mt -120.14 109.03 14.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.42 ' OD1' ' NH1' ' A' ' 56' ' ' ARG . 14.7 t0 -68.69 67.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -141.12 149.05 54.19 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.038 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -9.98 21.08 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.494 1.786 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.572 ' O ' ' CE2' ' A' ' 98' ' ' PHE . 2.5 m-20 -76.71 -48.82 17.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.403 ' O ' ' HA ' ' A' ' 39' ' ' THR . . . -61.53 132.54 53.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.583 ' HD1' HD13 ' A' ' 27' ' ' LEU . 27.4 m-85 -118.38 143.72 46.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.538 ' CE1' HD13 ' A' ' 67' ' ' LEU . 36.8 m-85 -140.8 148.58 40.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -141.8 145.29 34.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 111.045 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.548 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 18.2 m-85 -65.27 143.05 98.69 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 101' ' ' PHE . 18.3 Cg_endo -75.02 76.84 3.29 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.452 1.764 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.9 t70 176.24 -38.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.984 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.459 ' HA ' HD23 ' A' ' 11' ' ' LEU . 66.5 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -36.73 -72.26 0.16 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.24 -46.69 6.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 0.782 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.734 HD21 HD11 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -58.34 -55.51 34.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.583 ' CD2' ' CD1' ' A' ' 71' ' ' TYR . 21.4 t80 -52.72 -45.84 67.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.515 HD23 ' HE3' ' A' ' 16' ' ' LYS . 45.5 mt -52.47 -35.32 52.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.46 -47.98 62.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.995 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.5 mtt -50.63 -20.55 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.515 ' HE3' HD23 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -73.54 -34.76 65.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.425 ' HB3' ' N ' ' A' ' 21' ' ' GLY . 1.6 t70 -61.74 117.96 33.53 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -2.27 12.31 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -121.23 -53.09 2.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 110.309 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.17 22.66 8.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.425 ' N ' ' HB3' ' A' ' 17' ' ' ASP . . . -141.52 -156.27 6.75 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.564 1.165 . . . . 0.0 111.052 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.802 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -69.06 159.14 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.455 0.738 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.471 ' HB3' HD21 ' A' ' 25' ' ' LEU . 1.3 mmtt -82.43 -176.34 6.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.536 ' O ' HD13 ' A' ' 25' ' ' LEU . 31.9 mt-10 -152.45 102.81 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.675 HD22 ' N ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -122.75 161.85 23.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.448 ' OD1' ' ND2' ' A' ' 35' ' ' ASN . 2.5 m-80 -97.83 118.32 34.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.562 HD13 ' CE1' ' A' ' 98' ' ' PHE . 3.9 mt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 33' ' ' VAL . 79.6 t . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -71.19 101.54 2.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.448 ' ND2' ' OD1' ' A' ' 26' ' ' ASN . 8.5 m120 -89.97 157.89 17.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 41.77 50.78 4.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.593 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 99.3 m -123.11 161.14 24.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 108.281 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.724 HD22 ' CG2' ' A' ' 22' ' ' ILE . 0.4 OUTLIER -119.41 -151.56 0.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.526 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.4 t -172.42 148.47 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.532 ' HA2' ' CE1' ' A' ' 91' ' ' PHE . . . -36.6 -54.56 1.36 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 42' ' ' GLY . 3.3 t -59.8 -74.64 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 0.783 . . . . 0.0 109.993 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 41' ' ' SER . . . -35.97 -46.37 0.92 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.105 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.802 ' HA ' HD11 ' A' ' 22' ' ' ILE . 55.7 t -54.69 -64.29 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.91 ' HA ' HD12 ' A' ' 47' ' ' LEU . 48.3 mt -58.06 -38.15 65.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.452 ' O ' ' CB ' ' A' ' 49' ' ' SER . 8.5 t0 -52.79 -41.37 64.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.535 ' CG ' HG13 ' A' ' 22' ' ' ILE . 80.5 t90 -65.36 -39.36 92.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 108.017 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.939 HD23 HD12 ' A' ' 52' ' ' LEU . 23.0 mt -60.73 -59.7 4.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.405 ' O ' ' CE ' ' A' ' 51' ' ' LYS . 73.7 t -62.42 -42.41 95.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 45' ' ' ASP . 3.2 m -48.5 -54.35 14.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -82.43 -16.05 50.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' LEU . 3.1 mmtp 78.84 63.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.939 HD12 HD23 ' A' ' 47' ' ' LEU . 14.2 mt -92.88 -11.26 33.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.415 ' HB ' ' CB ' ' A' ' 58' ' ' GLU . 6.0 m -138.52 -173.27 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -92.43 -24.27 18.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -163.57 172.83 13.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.458 ' HG3' HG21 ' A' ' 44' ' ' ILE . 1.3 tpt180 -54.92 -42.64 72.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.268 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 60' ' ' LEU . 5.8 tm0? -48.89 -65.72 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.415 ' CB ' ' HB ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -40.23 -49.69 2.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.092 . . . . 0.0 110.276 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -55.7 -43.56 86.48 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.5 OUTLIER -52.84 -51.71 59.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 109.302 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.9 mtm -62.75 -52.79 61.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 65' ' ' SER . 7.5 mm -55.31 -52.11 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.561 ' HB3' ' CD2' ' A' ' 91' ' ' PHE . 12.6 m -40.05 -49.1 2.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 110.011 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.24 -48.43 62.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -52.46 -38.9 60.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.048 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.734 HD11 HD21 ' A' ' 11' ' ' LEU . 27.9 mt -69.69 -54.87 11.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.629 HD22 ' O ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -54.19 -59.57 4.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.52 ' N ' HD13 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -39.26 -67.32 0.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 68' ' ' SER . 35.0 mm-40 -38.07 -32.95 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 108.95 2.04 31.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.137 . . . . 0.0 110.95 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.583 ' CD1' ' CD2' ' A' ' 12' ' ' TYR . 27.5 m-85 -58.01 -15.66 9.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 0.788 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.9 mt -134.61 131.43 37.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -102.33 131.85 22.08 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.234 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 144.86 30.72 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.447 1.761 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -132.58 128.8 37.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 114.01 -99.38 0.96 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.432 1.083 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -171.8 -46.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.759 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 81' ' ' ASN . 0.4 OUTLIER -44.84 -87.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.611 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 0.7 OUTLIER -39.36 -31.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.96 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.416 ' N ' ' C ' ' A' ' 78' ' ' LEU . 0.1 OUTLIER -63.48 -54.46 36.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 78' ' ' LEU . 32.8 m-20 -50.39 -23.67 2.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 79' ' ' SER . . . -73.68 -50.92 18.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.6 27.48 2.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -99.4 -20.08 16.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 86' ' ' ILE . . . 152.93 -20.28 0.76 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.483 HD13 ' HA ' ' A' ' 86' ' ' ILE . 3.5 mm -39.38 -58.55 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 0.787 . . . . 0.0 109.261 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 86' ' ' ILE . . . 70.49 -179.06 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.519 ' O ' ' CB ' ' A' ' 89' ' ' ASN . 0.1 OUTLIER 78.37 -8.28 1.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 88' ' ' GLU . 0.8 OUTLIER 154.0 87.45 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.529 ' HA ' ' HB1' ' A' ' 82' ' ' ALA . 18.4 Cg_endo -75.02 -16.75 20.0 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.56 1.821 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.575 ' C ' HD12 ' A' ' 92' ' ' LEU . 4.5 t80 -99.46 127.65 45.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.686 HD12 ' N ' ' A' ' 92' ' ' LEU . 1.3 mp -102.78 116.32 32.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -74.9 59.51 0.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.61 155.0 78.58 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.966 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 0.42 8.91 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.482 1.78 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -87.59 -64.32 1.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -45.63 103.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.562 ' CE1' HD13 ' A' ' 27' ' ' LEU . 24.1 m-85 -101.2 127.53 47.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 79' ' ' SER . 34.1 m-85 -123.28 155.95 36.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -143.92 145.05 32.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.612 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 23.6 m-85 -62.71 148.99 90.27 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 2.19 6.88 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -126.15 26.36 6.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 101' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.02 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.433 HD22 ' CD2' ' A' ' 66' ' ' LEU . 26.4 mt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.484 ' O ' ' CD1' ' A' ' 13' ' ' LEU . . . -35.58 -78.6 0.04 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -41.25 -45.23 2.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 0.751 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.856 ' O ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -57.44 -52.82 63.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.771 ' N ' HD13 ' A' ' 11' ' ' LEU . 25.9 t80 -55.64 -46.53 77.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.484 ' CD1' ' O ' ' A' ' 9' ' ' GLY . 8.0 mp -48.04 -39.07 18.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.17 -53.38 38.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.023 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.511 ' HG2' ' CZ3' ' A' ' 46' ' ' TRP . 14.5 mtp -44.47 -25.35 0.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 110.958 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.76 -47.69 71.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.512 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 2.3 t0 -50.76 115.8 6.24 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -2.37 12.45 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.48 1.779 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -117.37 -54.75 2.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.283 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -94.33 12.41 27.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.512 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -140.36 -155.73 6.64 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.75 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -68.68 157.43 6.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 0.775 . . . . 0.0 109.26 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.41 ' O ' HG23 ' A' ' 22' ' ' ILE . 1.7 mttt -86.98 179.04 6.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -146.67 103.79 3.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.325 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.22 164.56 15.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -101.27 116.72 33.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.4 mt . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -70.51 104.12 2.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -87.52 158.05 19.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 42.73 74.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.617 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.499 ' C ' HD23 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -139.19 168.78 19.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 108.296 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.757 ' O ' HG23 ' A' ' 39' ' ' THR . 2.2 mt -123.21 -153.6 0.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.757 HG23 ' O ' ' A' ' 38' ' ' LEU . 1.6 p -161.66 135.23 6.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 110.46 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -37.23 -48.03 1.5 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.41 -46.89 59.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 0.752 . . . . 0.0 110.003 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.54 -52.38 50.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.75 ' HA ' HD11 ' A' ' 22' ' ' ILE . 76.5 t -43.22 -52.79 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.536 0.786 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.954 ' HA ' HD12 ' A' ' 47' ' ' LEU . 22.9 mt -67.24 -45.6 85.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 49' ' ' SER . 27.3 t0 -40.72 -47.11 2.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.69 ' CZ3' ' CD1' ' A' ' 52' ' ' LEU . 61.6 t90 -60.57 -58.37 8.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.117 . . . . 0.0 108.015 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.954 HD12 ' HA ' ' A' ' 44' ' ' ILE . 4.2 mt -46.18 -44.44 16.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.607 HG21 ' HG2' ' A' ' 56' ' ' ARG . 13.3 t -72.76 -30.76 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 46' ' ' TRP . 0.3 OUTLIER -70.63 -46.75 62.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.005 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.623 ' ND2' ' CD2' ' A' ' 46' ' ' TRP . 6.9 p30 -82.13 -21.77 36.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' LEU . 7.5 mmtt 81.82 36.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.69 ' CD1' ' CZ3' ' A' ' 46' ' ' TRP . 9.3 mt -69.12 -20.03 64.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.43 ' HB ' ' CB ' ' A' ' 58' ' ' GLU . 18.1 m -130.07 -172.68 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.9 mmt-85 -97.38 -26.99 14.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -164.97 159.92 18.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.24 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.607 ' HG2' HG21 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -40.94 -46.39 2.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.1 tm0? -43.92 -63.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.43 ' CB ' ' HB ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -46.28 -49.0 17.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -55.37 -42.31 82.67 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.406 HD23 ' HB2' ' A' ' 93' ' ' ASP . 0.6 OUTLIER -52.95 -50.79 63.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 24.8 mtm -65.2 -51.95 57.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 111.043 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.6 mm -55.33 -43.57 71.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.572 ' HB3' ' CD2' ' A' ' 91' ' ' PHE . 3.7 m -50.05 -51.13 44.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.973 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.97 -46.04 78.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.32 -35.19 67.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.997 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.789 HD21 ' CD1' ' A' ' 11' ' ' LEU . 42.8 mt -72.74 -57.11 4.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.568 HD12 ' O ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -52.63 -55.81 19.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t -39.89 -66.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 109.975 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -41.37 -33.02 0.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 0.0 110.253 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 109.73 21.64 7.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -79.64 -17.59 53.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.568 ' O ' HD12 ' A' ' 67' ' ' LEU . 22.8 mt -132.7 118.83 19.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.519 ' HB2' ' CE2' ' A' ' 100' ' ' TYR . 33.6 mm-40 -92.35 139.82 24.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.36 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -74.97 143.23 28.91 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.448 1.762 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -131.82 105.0 7.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 123.9 -149.69 16.92 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.21 -45.56 3.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.778 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.7 tt -47.3 -71.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.542 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 78.5 p -45.08 -50.42 11.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.031 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -44.43 -59.54 2.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -53.15 -45.1 68.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.682 ' HB1' ' O ' ' A' ' 90' ' ' PRO . . . -49.96 -55.66 13.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.06 54.94 2.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -135.48 -58.9 0.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 176.18 38.23 0.05 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.453 1.096 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.478 HG22 ' N ' ' A' ' 87' ' ' ALA . 4.5 mm -68.05 -68.72 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 0.778 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.478 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -147.25 -145.03 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.301 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.09 9.39 36.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -135.34 110.74 10.65 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.682 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 18.5 Cg_endo -74.96 -31.71 6.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.455 1.766 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 63' ' ' SER . 6.9 t80 -81.8 146.0 30.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.439 ' CD1' ' HB2' ' A' ' 82' ' ' ALA . 60.1 mt -124.61 111.36 15.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.423 ' OD1' ' NH2' ' A' ' 56' ' ' ARG . 24.2 t0 -68.18 70.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -139.19 147.77 54.57 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.014 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -7.13 18.91 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.442 1.759 . . . . 0.0 111.046 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.579 ' O ' ' CE2' ' A' ' 98' ' ' PHE . 5.8 m-20 -82.49 -59.83 2.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -48.49 129.35 16.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.579 ' CE2' ' O ' ' A' ' 96' ' ' ASP . 20.4 m-85 -116.18 146.81 42.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.508 ' CE1' ' HB2' ' A' ' 79' ' ' SER . 62.5 m-85 -148.26 159.92 43.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.519 ' CE2' ' HB2' ' A' ' 73' ' ' GLN . 39.0 p90 -147.99 171.38 15.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 111.051 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.416 ' CE1' HD11 ' A' ' 38' ' ' LEU . 14.0 m-85 -89.92 142.57 29.05 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 71.31 5.08 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.488 1.783 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -177.57 -39.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.968 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.557 HD22 ' CD2' ' A' ' 66' ' ' LEU . 32.8 mt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -34.46 -69.48 0.19 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.36 -41.74 39.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 0.793 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.968 HD13 ' N ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -61.52 -50.03 74.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.968 ' N ' HD13 ' A' ' 11' ' ' LEU . 22.3 t80 -58.12 -48.76 79.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 32.4 mt -45.99 -43.34 14.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -62.26 -59.7 4.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.043 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 8.4 mtt -40.33 -40.1 1.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -45.47 73.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 14' ' ' SER . 0.4 OUTLIER -52.57 119.11 14.56 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.254 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -3.02 13.31 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -121.82 -52.94 1.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -93.27 16.4 13.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.434 ' N ' ' HB3' ' A' ' 17' ' ' ASP . . . -137.35 -152.76 6.2 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.514 1.133 . . . . 0.0 111.027 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.812 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -74.07 157.33 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -74.96 -178.53 3.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -150.55 98.27 2.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.78 165.05 17.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -89.57 131.07 35.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.0 mt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.932 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.6 t . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.541 ' CE1' ' HB1' ' A' ' 75' ' ' ALA . 30.2 m-85 -107.73 101.75 11.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 36' ' ' HIS . 1.6 m-20 -79.38 164.19 24.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 35' ' ' ASN . 80.6 m-70 39.36 64.65 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.605 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.733 ' C ' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -126.0 169.96 12.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.108 . . . . 0.0 108.273 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.755 ' O ' HG23 ' A' ' 39' ' ' THR . 0.8 OUTLIER -127.77 -154.49 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.755 HG23 ' O ' ' A' ' 38' ' ' LEU . 1.4 p -161.63 125.28 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.412 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -46.7 -25.7 2.35 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 t -84.08 -44.37 14.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 0.764 . . . . 0.0 110.008 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.98 -46.46 36.53 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.812 ' HA ' HD11 ' A' ' 22' ' ' ILE . 13.4 m -45.87 -55.32 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.773 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.613 HG22 ' HG2' ' A' ' 56' ' ' ARG . 75.7 mt -55.47 -37.35 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -60.49 -36.23 77.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.535 ' CG ' HG13 ' A' ' 22' ' ' ILE . 83.3 t90 -72.87 -28.61 62.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 107.973 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.479 HD23 HD12 ' A' ' 52' ' ' LEU . 91.9 mt -68.64 -49.05 62.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.0 t -72.46 -37.51 57.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.85 -50.03 61.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.413 ' C ' ' CD ' ' A' ' 51' ' ' LYS . 15.1 m-80 -82.25 -14.36 55.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.413 ' CD ' ' C ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER 76.21 57.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.602 ' CD1' HD23 ' A' ' 11' ' ' LEU . 11.8 mt -88.96 -20.27 24.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 2.4 m -134.39 -173.81 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.5 mtt85 -98.0 -26.93 14.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -149.91 167.49 26.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.613 ' HG2' HG22 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -58.16 -44.5 87.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 110.273 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 60' ' ' LEU . 4.1 tt0 -46.77 -63.44 1.02 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.466 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 1.9 mt-10 -39.33 -48.68 1.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -56.67 -44.52 91.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.571 1.17 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 57' ' ' GLN . 1.2 tm? -51.38 -54.19 29.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.427 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 15.2 mtm -59.7 -56.89 16.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 63' ' ' SER . 32.0 mm -48.05 -55.06 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.582 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 2.7 m -38.1 -53.83 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.952 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 61' ' ' MET . . . -42.91 -53.37 4.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.8 -44.79 59.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.021 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.641 HD11 HD12 ' A' ' 11' ' ' LEU . 2.7 mm? -64.12 -57.07 10.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.577 HD22 ' O ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -50.37 -61.32 2.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.457 ' N ' HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -40.2 -64.71 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.948 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -39.24 -34.04 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.266 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 111.35 -4.12 28.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.445 ' CD1' ' CG ' ' A' ' 12' ' ' TYR . 32.8 m-85 -51.39 -19.98 1.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.3 mt -130.63 123.71 30.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.409 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 76.7 mm-40 -96.36 131.49 28.42 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.99 143.28 28.91 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.532 1.806 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.541 ' HB1' ' CE1' ' A' ' 34' ' ' PHE . . . -132.84 114.78 14.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 126.8 -125.79 5.48 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -140.03 -48.94 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.749 . . . . 0.0 109.268 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.657 ' C ' HD23 ' A' ' 78' ' ' LEU . 4.9 tt -46.04 -70.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.558 ' N ' HD23 ' A' ' 78' ' ' LEU . 6.7 p -48.65 -55.37 11.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.993 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -46.39 -49.54 17.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -64.11 -30.38 71.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 79' ' ' SER . . . -68.86 -25.25 64.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.262 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.13 -24.67 15.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.58 -66.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 171.78 59.91 0.04 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.678 HG22 ' N ' ' A' ' 87' ' ' ALA . 3.7 mm -78.18 -78.75 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.678 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -130.09 -142.44 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.11 -17.54 24.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -109.53 107.6 59.46 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.401 ' HA ' ' O ' ' A' ' 82' ' ' ALA . 18.4 Cg_endo -74.97 -32.5 5.38 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.49 1.784 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 1.3 t80 -78.56 143.88 36.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 94' ' ' SER . 65.5 mt -123.82 109.77 14.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -66.93 71.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -145.67 148.58 37.08 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.025 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 0.78 8.49 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.521 1.8 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.416 ' O ' ' CE1' ' A' ' 98' ' ' PHE . 0.2 OUTLIER -89.23 -52.03 5.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.24 106.15 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.416 ' CE1' ' O ' ' A' ' 96' ' ' ASP . 17.8 m-85 -94.84 148.68 22.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 38' ' ' LEU . 59.8 m-85 -149.56 150.03 31.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -140.4 148.74 41.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 110.972 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.474 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 26.1 m-85 -66.98 151.08 97.49 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 60.84 5.54 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.453 1.765 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -177.57 -39.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 -179.953 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.734 HD22 ' CD2' ' A' ' 66' ' ' LEU . 64.3 mt . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -34.51 -74.38 0.08 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.617 ' HA ' HD12 ' A' ' 13' ' ' LEU . . . -43.51 -43.45 5.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.763 HD11 ' SD ' ' A' ' 15' ' ' MET . 0.8 OUTLIER -61.2 -50.49 72.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 13' ' ' LEU . 54.8 t80 -59.44 -50.61 73.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.617 HD12 ' HA ' ' A' ' 10' ' ' ALA . 59.5 mt -36.26 -40.92 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.464 ' O ' ' HA3' ' A' ' 21' ' ' GLY . 0.4 OUTLIER -73.1 -63.54 1.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.025 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.763 ' SD ' HD11 ' A' ' 11' ' ' LEU . 86.5 mtp -49.45 -23.65 1.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.961 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.415 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -92.1 25.29 2.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.498 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 0.6 OUTLIER -124.15 117.92 26.8 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 1.47 7.71 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.529 1.805 . . . . 0.0 110.962 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -110.52 -54.91 2.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.6 mmtt -115.76 32.92 5.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.498 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -140.72 -163.99 9.74 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.888 ' CG2' HD22 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -60.69 164.2 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.522 0.777 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.477 ' N ' HG23 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -98.57 147.49 24.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -108.48 125.53 51.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 mt -138.23 154.74 49.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -83.1 136.87 34.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.713 HD13 ' CD1' ' A' ' 98' ' ' PHE . 39.9 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -77.23 101.25 6.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -68.33 141.45 55.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 51.3 76.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.623 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.473 ' HB3' HD12 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -130.57 170.93 13.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 108.326 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.888 HD22 ' CG2' ' A' ' 22' ' ' ILE . 1.0 OUTLIER -132.16 -152.31 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.962 ' O ' HG13 ' A' ' 43' ' ' VAL . 1.9 p -160.86 137.51 8.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.44 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.62 -27.64 55.15 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.6 t -81.82 -39.21 24.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 0.0 110.024 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.427 ' O ' ' CB ' ' A' ' 45' ' ' ASP . . . -75.74 -47.36 12.07 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.543 1.152 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.962 HG13 ' O ' ' A' ' 39' ' ' THR . 14.1 m -48.02 -55.34 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.558 0.799 . . . . 0.0 109.254 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.694 ' HA ' HD12 ' A' ' 47' ' ' LEU . 77.4 mt -53.75 -31.56 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 42' ' ' GLY . 3.6 t0 -63.83 -44.96 91.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.59 ' CZ3' ' HG2' ' A' ' 15' ' ' MET . 48.4 t90 -65.19 -29.43 70.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 108.022 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.694 HD12 ' HA ' ' A' ' 44' ' ' ILE . 95.7 mt -67.31 -49.79 62.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.44 HG21 ' HG2' ' A' ' 56' ' ' ARG . 55.6 t -72.56 -43.15 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.05 -50.0 15.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.984 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.446 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 14.0 m-80 -78.36 -22.06 48.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 3.5 mmtt 84.6 53.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.486 HD12 HD23 ' A' ' 47' ' ' LEU . 11.9 mt -85.5 -29.79 23.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.49 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 1.9 m -126.41 -172.89 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -96.97 -26.75 14.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -154.56 154.85 33.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.645 ' HD2' HG22 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -45.4 -45.93 13.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.267 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 60' ' ' LEU . 2.4 tt0 -44.24 -62.8 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 0.0 110.339 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.49 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 1.9 mt-10 -42.0 -47.09 4.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -56.54 -40.59 87.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.44 1.088 . . . . 0.0 111.018 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 57' ' ' GLN . 1.2 tm? -52.44 -56.82 12.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 109.374 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 18.9 mtm -58.25 -55.29 36.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 63' ' ' SER . 38.1 mm -50.47 -54.54 8.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 91' ' ' PHE . 3.6 m -37.75 -56.48 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.012 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -41.88 -51.28 4.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -50.34 -41.19 50.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.025 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.734 ' CD2' HD22 ' A' ' 8' ' ' LEU . 1.0 OUTLIER -67.76 -56.39 9.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.478 HD12 ' O ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -53.08 -56.87 12.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -38.68 -67.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.967 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.559 ' HG3' HD12 ' A' ' 8' ' ' LEU . 52.7 mm-40 -40.68 -37.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 114.57 12.05 10.95 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -67.74 -23.45 65.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 0.773 . . . . 0.0 111.018 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.478 ' O ' HD12 ' A' ' 67' ' ' LEU . 27.3 mt -128.38 116.26 19.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.569 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . 29.3 mm-40 -87.29 139.47 32.1 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -75.02 146.33 32.43 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.486 1.782 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -137.38 101.62 4.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.35 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.77 167.55 36.36 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -54.92 -169.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 0.776 . . . . 0.0 109.282 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.5 ' CD2' HD23 ' A' ' 92' ' ' LEU . 0.7 OUTLIER 70.82 -76.03 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.71 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 23.3 m -62.77 -49.72 73.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.028 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -54.2 48.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.441 ' O ' ' CB ' ' A' ' 84' ' ' ASP . 20.1 m120 -48.73 -29.05 4.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.943 ' HA ' HD12 ' A' ' 86' ' ' ILE . . . -65.17 -62.81 1.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.6 -22.92 3.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.441 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 15.7 t0 -47.54 -65.42 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 157.79 42.45 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.472 1.108 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.943 HD12 ' HA ' ' A' ' 82' ' ' ALA . 13.2 mt -63.8 -79.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.515 0.773 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.611 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -136.08 -142.5 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.87 10.4 41.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.297 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -128.43 86.76 56.95 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.247 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.562 ' HA ' ' HB1' ' A' ' 82' ' ' ALA . 18.3 Cg_endo -74.96 -22.66 14.67 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.5 1.789 . . . . 0.0 110.977 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.618 ' C ' HD12 ' A' ' 92' ' ' LEU . 1.4 t80 -83.8 129.33 34.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.984 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.693 HD12 ' N ' ' A' ' 92' ' ' LEU . 1.3 mp -105.48 109.49 21.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -68.03 69.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -147.1 152.64 43.83 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 0.0 109.975 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.432 ' HA ' ' HB ' ' A' ' 39' ' ' THR . 18.4 Cg_endo -74.98 -10.58 21.32 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.521 1.801 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.484 ' O ' ' CE2' ' A' ' 98' ' ' PHE . 0.7 OUTLIER -75.34 -50.36 16.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.602 ' HB1' ' OG ' ' A' ' 79' ' ' SER . . . -62.02 115.82 4.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.713 ' CD1' HD13 ' A' ' 27' ' ' LEU . 16.9 m-85 -104.08 139.89 38.53 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.513 1.133 . . . . 0.0 110.951 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.556 ' CE1' ' HB3' ' A' ' 79' ' ' SER . 36.7 m-85 -139.35 150.01 44.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.569 ' CE1' ' HB2' ' A' ' 73' ' ' GLN . 37.5 p90 -141.38 153.4 45.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.506 ' CZ ' ' O ' ' A' ' 15' ' ' MET . 32.1 m-85 -75.63 143.7 75.85 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 73.38 4.35 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.486 1.782 . . . . 0.0 111.031 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 163.76 -37.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.972 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.51 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 5.6 mp . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -34.72 -71.73 0.13 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.438 1.087 . . . . 0.0 110.999 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.02 -51.98 7.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.824 ' CD2' HD11 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -54.31 -56.24 20.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.437 ' N ' ' HG ' ' A' ' 11' ' ' LEU . 27.3 t80 -52.58 -49.63 64.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.6 mt -47.06 -37.07 8.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.54 -47.53 54.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.973 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 11.4 mtt -46.97 -28.28 1.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.55 -40.77 93.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.362 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.508 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 0.4 OUTLIER -57.95 111.89 4.11 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -0.92 10.54 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.476 1.777 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -117.71 -54.68 2.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.293 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -96.57 14.66 24.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.508 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -139.0 -154.36 6.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.608 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -71.42 157.14 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.423 ' O ' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -93.34 -172.53 2.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.884 ' C ' HD13 ' A' ' 25' ' ' LEU . 26.5 mt-10 -138.11 105.12 5.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.884 HD13 ' C ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -113.75 146.59 39.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.935 ' C ' HD13 ' A' ' 27' ' ' LEU . 9.9 p30 -94.88 129.93 41.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.358 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.935 HD13 ' C ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.555 HG12 ' OD1' ' A' ' 35' ' ' ASN . 63.8 t . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.557 ' CE1' ' HB1' ' A' ' 75' ' ' ALA . 49.1 m-85 -82.6 102.28 11.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.555 ' OD1' HG12 ' A' ' 33' ' ' VAL . 9.7 m-20 -96.09 156.41 16.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 46.81 39.3 7.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.602 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 59.8 m -113.2 166.61 11.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.422 1.076 . . . . 0.0 108.343 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.603 HD11 ' CE1' ' A' ' 101' ' ' PHE . 0.7 OUTLIER -115.94 -152.93 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.928 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -153.04 147.08 25.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.369 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -48.26 -52.82 17.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.6 t -67.43 -57.2 6.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 0.762 . . . . 0.0 110.005 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -42.48 -49.01 5.81 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.455 1.097 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.928 HG23 ' O ' ' A' ' 39' ' ' THR . 73.7 t -42.84 -43.4 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.742 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.83 HG21 ' HD2' ' A' ' 56' ' ' ARG . 10.7 mt -79.44 -43.8 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 49' ' ' SER . 38.4 t0 -41.09 -47.82 3.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.698 ' CZ3' ' CD1' ' A' ' 52' ' ' LEU . 61.9 t90 -60.44 -57.21 13.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 108.024 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.566 HD23 ' CD1' ' A' ' 52' ' ' LEU . 32.7 mt -47.86 -43.32 28.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 67.4 t -73.58 -28.77 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.357 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 45' ' ' ASP . 0.3 OUTLIER -73.18 -45.16 58.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.984 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.616 ' ND2' ' CD2' ' A' ' 46' ' ' TRP . 7.6 p30 -84.17 -21.1 31.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' LEU . 3.2 mmtp 81.21 37.5 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.698 ' CD1' ' CZ3' ' A' ' 46' ' ' TRP . 9.5 mt -71.63 -10.89 60.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.512 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 3.8 m -137.39 -171.79 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.5 mtt180 -95.14 -25.82 16.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -167.43 -175.95 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.83 ' HD2' HG21 ' A' ' 44' ' ' ILE . 0.7 OUTLIER -61.3 -38.4 86.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 60' ' ' LEU . 1.2 tm0? -48.41 -66.88 0.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.512 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 6.1 mt-10 -40.45 -51.23 2.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.113 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.748 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -51.47 -39.31 44.42 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.7 OUTLIER -60.57 -48.46 81.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 0.792 . . . . 0.0 109.319 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 34.7 mtm -70.54 -45.99 64.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 65' ' ' SER . 5.0 mm -62.78 -55.07 26.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.566 ' HB3' ' CD2' ' A' ' 91' ' ' PHE . 5.7 m -37.81 -45.05 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.466 ' HB1' ' HD2' ' A' ' 90' ' ' PRO . . . -56.23 -51.75 66.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -51.68 -42.27 62.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.019 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.824 HD11 ' CD2' ' A' ' 11' ' ' LEU . 1.7 mm? -62.59 -56.48 17.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.716 HD12 ' O ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -56.33 -57.65 11.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -37.93 -68.22 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.442 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 33.1 mm-40 -40.94 -39.47 1.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 114.86 26.81 3.45 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.51 ' CE2' ' HB3' ' A' ' 8' ' ' LEU . 27.4 m-85 -87.67 -9.73 53.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 0.737 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.716 ' O ' HD12 ' A' ' 67' ' ' LEU . 14.2 mt -141.94 117.64 10.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.509 ' CB ' ' CZ ' ' A' ' 100' ' ' TYR . 55.7 mm-40 -92.25 136.45 25.7 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -75.05 142.4 27.64 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.473 1.775 . . . . 0.0 110.996 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.557 ' HB1' ' CE1' ' A' ' 34' ' ' PHE . . . -144.4 110.32 5.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 140.61 -102.38 0.32 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.442 1.089 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -166.36 -50.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.4 mp -44.67 -72.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 80.5 p -48.31 -47.04 36.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.945 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -52.21 -44.98 65.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.49 ' O ' ' CB ' ' A' ' 84' ' ' ASP . 1.3 t-20 -58.6 -51.77 68.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.667 ' HB2' HD11 ' A' ' 92' ' ' LEU . . . -56.85 -51.62 68.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.32 -24.31 64.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 3.7 t0 -55.74 -63.53 1.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 169.04 47.29 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.466 1.104 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.702 HG22 ' N ' ' A' ' 87' ' ' ALA . 3.3 mm -67.97 -78.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.702 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -135.93 -143.53 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -88.8 -15.28 35.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.57 103.49 46.64 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.466 ' HD2' ' HB1' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.03 -26.84 10.49 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.49 1.784 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.566 ' CD2' ' HB3' ' A' ' 63' ' ' SER . 3.9 t80 -81.14 149.21 29.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.667 HD11 ' HB2' ' A' ' 82' ' ' ALA . 36.4 mt -126.03 114.09 17.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.45 ' OD1' ' NH2' ' A' ' 56' ' ' ARG . 4.8 t0 -72.65 69.56 0.89 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.95 149.06 67.43 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.001 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -8.47 20.09 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.788 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.594 ' O ' ' CE2' ' A' ' 98' ' ' PHE . 59.7 m-20 -83.41 -54.63 4.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -46.97 131.97 11.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' A' ' 96' ' ' ASP . 78.9 m-85 -120.79 136.0 55.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.403 ' HA ' ' O ' ' A' ' 73' ' ' GLN . 93.8 m-85 -134.14 163.81 28.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.509 ' CZ ' ' CB ' ' A' ' 73' ' ' GLN . 47.4 p90 -158.16 154.9 28.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 111.023 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.603 ' CE1' HD11 ' A' ' 38' ' ' LEU . 12.9 m-85 -76.58 140.87 68.49 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 78.05 2.98 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.507 1.793 . . . . 0.0 110.964 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.7 t70 174.91 -37.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.971 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.513 ' O ' ' C ' ' A' ' 9' ' ' GLY . 6.0 mp . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.513 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -28.07 -70.87 0.05 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -48.82 -51.84 27.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 0.765 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.006 ' CD1' HD11 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -54.89 -54.25 44.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.886 ' N ' HD13 ' A' ' 11' ' ' LEU . 35.3 t80 -53.42 -51.89 61.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.539 HD23 ' HE3' ' A' ' 16' ' ' LYS . 24.8 mt -42.99 -38.25 2.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.35 -51.47 44.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.046 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.501 ' HG2' ' CZ3' ' A' ' 46' ' ' TRP . 11.5 mtp -46.94 -24.0 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.539 ' HE3' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -67.09 -45.15 78.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.505 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 2.0 t70 -52.87 116.11 8.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -1.99 11.95 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.534 1.807 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -118.1 -54.56 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -96.0 15.4 20.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.505 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -139.56 -155.07 6.5 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.706 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -68.49 163.65 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 109.311 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.461 ' N ' HG23 ' A' ' 22' ' ' ILE . 0.9 OUTLIER -95.65 -172.21 2.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -151.67 96.71 2.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.566 HD22 ' N ' ' A' ' 25' ' ' LEU . 2.3 mm? -100.17 165.27 11.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -100.68 99.45 10.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.633 HD11 HG23 ' A' ' 39' ' ' THR . 10.7 mt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 1.5 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -92.95 101.6 13.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -77.68 147.72 35.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 54.83 62.72 2.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.621 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.641 ' O ' HD23 ' A' ' 38' ' ' LEU . 96.3 m -138.96 176.51 8.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 108.346 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.698 HD11 ' CE1' ' A' ' 101' ' ' PHE . 0.2 OUTLIER -132.99 -154.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.633 HG23 HD11 ' A' ' 27' ' ' LEU . 1.8 p -158.11 135.82 10.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.421 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.42 ' HA2' ' CE1' ' A' ' 91' ' ' PHE . . . -39.85 -45.12 2.82 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.1 t -72.4 -43.44 63.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 109.996 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.51 -50.24 66.29 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.706 ' HA ' HD11 ' A' ' 22' ' ' ILE . 78.0 t -43.33 -46.31 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 0.789 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.951 ' HA ' HD12 ' A' ' 47' ' ' LEU . 21.2 mt -71.83 -41.26 69.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.583 1.177 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 49' ' ' SER . 54.8 t0 -45.01 -46.38 11.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.627 ' CD2' ' ND2' ' A' ' 50' ' ' ASN . 61.7 t90 -59.58 -57.45 12.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 107.966 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.951 HD12 ' HA ' ' A' ' 44' ' ' ILE . 4.1 mt -45.2 -45.09 11.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.811 HG21 ' HG2' ' A' ' 56' ' ' ARG . 25.0 t -73.41 -31.27 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -69.09 -44.55 72.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.627 ' ND2' ' CD2' ' A' ' 46' ' ' TRP . 6.0 p30 -84.28 -21.76 30.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 4.5 mmtt 82.89 35.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.59 ' CD1' ' CZ3' ' A' ' 46' ' ' TRP . 9.7 mt -69.51 -18.38 63.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.429 ' HB ' ' CB ' ' A' ' 58' ' ' GLU . 27.7 m -131.58 -172.21 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -99.52 -26.65 14.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 110.311 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -160.93 153.58 20.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.811 ' HG2' HG21 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -39.01 -41.34 0.76 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.274 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 60' ' ' LEU . 5.0 tm0? -48.01 -67.41 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 110.295 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.429 ' CB ' ' HB ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -39.63 -50.61 2.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.505 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -53.92 -41.45 67.74 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.471 1.107 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.7 OUTLIER -54.04 -54.75 34.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 35.9 mtm -58.51 -50.58 73.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.4 ' O ' HD23 ' A' ' 66' ' ' LEU . 24.5 mm -58.03 -50.48 77.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.571 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . 21.9 m -40.51 -50.11 2.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.77 -54.7 17.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.162 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.45 -45.0 25.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.01 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 1.006 HD11 ' CD1' ' A' ' 11' ' ' LEU . 2.1 mm? -59.7 -55.03 39.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.846 HD12 ' O ' ' A' ' 72' ' ' LEU . 4.0 tp -56.96 -56.3 23.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.36 -62.27 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.969 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -45.94 -40.94 10.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 116.83 32.84 1.49 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.678 ' CE1' ' CD2' ' A' ' 12' ' ' TYR . 29.6 m-85 -90.9 -27.61 18.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 110.95 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.846 ' O ' HD12 ' A' ' 67' ' ' LEU . 3.0 mm? -116.59 120.58 39.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.534 ' CB ' ' CE1' ' A' ' 100' ' ' TYR . 40.0 mm-40 -97.42 133.36 23.88 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -75.07 136.08 19.78 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -129.95 119.38 23.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 121.46 -86.82 0.4 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.536 1.147 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 170.28 -43.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.586 ' C ' HD23 ' A' ' 78' ' ' LEU . 6.3 tt -40.95 -76.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.708 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 73.7 m -55.87 -44.78 78.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.41 -55.3 5.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.467 ' O ' ' CB ' ' A' ' 84' ' ' ASP . 2.0 m-80 -45.17 -34.63 2.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 79' ' ' SER . . . -57.92 -68.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -42.68 -30.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.467 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 3.0 t70 -54.83 -62.27 1.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 163.9 60.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.519 1.137 . . . . 0.0 110.97 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.677 HG22 ' N ' ' A' ' 87' ' ' ALA . 3.3 mm -76.17 -78.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.677 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -135.53 -144.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.18 6.34 48.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -134.76 105.48 10.7 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.473 ' HB2' ' CD2' ' A' ' 67' ' ' LEU . 18.4 Cg_endo -74.96 -25.89 11.51 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.465 1.771 . . . . 0.0 111.0 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.633 ' C ' HD12 ' A' ' 92' ' ' LEU . 2.5 t80 -86.23 129.66 34.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.69 HD12 ' N ' ' A' ' 92' ' ' LEU . 1.2 mp -105.64 113.6 27.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -72.4 63.78 0.57 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.25 148.71 60.74 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.001 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -10.1 21.04 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.506 1.792 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.583 ' O ' ' CE1' ' A' ' 98' ' ' PHE . 2.8 m-20 -77.86 -31.3 51.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.245 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.569 ' HB1' ' OG ' ' A' ' 79' ' ' SER . . . -73.66 133.69 43.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.583 ' CE1' ' O ' ' A' ' 96' ' ' ASP . 5.6 m-30 -120.35 124.14 44.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -126.83 145.71 50.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.534 ' CE1' ' CB ' ' A' ' 73' ' ' GLN . 22.9 p90 -139.87 147.65 40.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.698 ' CE1' HD11 ' A' ' 38' ' ' LEU . 13.9 m-85 -68.56 136.81 90.63 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 73.65 4.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 30.1 t0 179.97 -37.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.018 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 9' ' ' GLY . 25.7 mt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -36.19 -72.83 0.13 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -42.64 -48.07 5.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 109.317 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.535 ' C ' HD12 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -57.36 -56.31 23.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.598 ' CD2' ' CD1' ' A' ' 71' ' ' TYR . 26.5 t80 -51.93 -47.81 64.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.7 mt -49.89 -40.2 42.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.5 OUTLIER -65.65 -48.58 71.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.95 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.0 mtp -46.71 -24.61 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.0 -39.69 75.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.524 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 0.4 OUTLIER -57.52 112.17 4.37 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -0.8 10.41 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.547 1.814 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -117.04 -54.89 2.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -97.94 15.86 22.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.524 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -141.43 -156.07 6.69 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.554 1.159 . . . . 0.0 111.012 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.655 HD13 HD13 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -69.47 167.46 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.257 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.527 ' N ' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -107.28 -169.91 1.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -141.88 129.94 22.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.316 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mt -139.15 164.72 29.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -90.52 149.23 22.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.475 HD11 HG23 ' A' ' 39' ' ' THR . 23.6 mt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -87.48 102.38 14.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -76.53 147.78 37.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 55.84 72.25 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.607 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.681 ' C ' HD23 ' A' ' 38' ' ' LEU . 4.4 t -142.33 166.66 24.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 108.333 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.687 ' O ' HG23 ' A' ' 39' ' ' THR . 0.5 OUTLIER -115.61 -151.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.687 HG23 ' O ' ' A' ' 38' ' ' LEU . 1.8 p -159.38 130.15 5.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.402 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 39' ' ' THR . . . -37.07 -40.79 0.58 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.2 -44.27 26.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 39' ' ' THR . . . -60.8 -42.41 99.5 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.57 ' HA ' HD11 ' A' ' 22' ' ' ILE . 77.4 t -48.46 -45.37 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.462 0.743 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.932 ' HA ' HD12 ' A' ' 47' ' ' LEU . 9.2 mt -74.38 -41.03 50.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 49' ' ' SER . 19.2 t0 -42.72 -48.07 5.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.684 ' CZ3' ' CD1' ' A' ' 52' ' ' LEU . 62.0 t90 -60.2 -58.36 8.83 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.932 HD12 ' HA ' ' A' ' 44' ' ' ILE . 4.0 mt -45.64 -48.62 14.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.611 HG21 ' HG2' ' A' ' 56' ' ' ARG . 8.2 t -68.3 -34.27 65.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 45' ' ' ASP . 0.4 OUTLIER -66.76 -47.46 72.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.541 1.15 . . . . 0.0 110.038 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.613 ' ND2' ' CD2' ' A' ' 46' ' ' TRP . 7.2 p30 -81.8 -17.01 49.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 47' ' ' LEU . 2.9 mmtp 76.87 35.31 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.758 HD13 HD23 ' A' ' 47' ' ' LEU . 6.7 mt -64.45 -21.25 66.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.506 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 4.7 m -129.12 -173.57 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -89.72 -27.6 19.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.476 ' OD1' ' CB ' ' A' ' 57' ' ' GLN . 0.9 OUTLIER -163.11 -178.35 5.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.783 ' HD2' HG21 ' A' ' 44' ' ' ILE . 1.2 mmm-85 -61.45 -38.71 88.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.476 ' CB ' ' OD1' ' A' ' 55' ' ' ASN . 2.5 tm0? -47.75 -65.18 0.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 110.274 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.506 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 3.9 mt-10 -41.0 -49.93 3.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.717 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -53.84 -38.02 58.86 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.4 OUTLIER -59.46 -52.14 66.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 0.731 . . . . 0.0 109.288 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 18.9 mtm -66.73 -48.45 69.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 65' ' ' SER . 4.1 mm -59.96 -53.02 54.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.545 ' HB3' ' CD1' ' A' ' 91' ' ' PHE . 14.3 m -38.95 -42.85 0.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.019 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.07 -50.9 71.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -52.25 -37.49 55.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.482 ' HB3' ' CD2' ' A' ' 72' ' ' LEU . 44.2 mt -67.92 -55.91 11.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.592 HD22 ' O ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -56.72 -60.32 3.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.528 ' N ' HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -37.74 -64.78 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.008 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -40.98 -40.22 1.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 114.05 25.17 4.26 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.544 1.152 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.598 ' CD1' ' CD2' ' A' ' 12' ' ' TYR . 30.5 m-85 -82.83 -23.3 33.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.504 ' O ' HD23 ' A' ' 67' ' ' LEU . 2.6 mm? -119.01 124.82 47.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.506 ' HB2' ' CZ ' ' A' ' 100' ' ' TYR . 26.8 mm-40 -96.54 124.24 51.51 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 110.239 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 132.76 15.74 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.553 1.818 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -133.3 123.87 26.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 128.12 -111.63 1.32 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -154.69 -52.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 0.787 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.47 -71.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.479 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -39.79 -41.31 1.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.012 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -56.12 -62.08 1.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -43.34 -49.06 6.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.653 ' HB1' ' O ' ' A' ' 90' ' ' PRO . . . -46.54 -53.69 10.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.31 58.02 2.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -143.01 -60.66 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -178.7 36.03 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.521 1.138 . . . . 0.0 110.954 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.557 HG22 ' N ' ' A' ' 87' ' ' ALA . 5.4 mm -69.63 -73.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 0.75 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.557 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -147.17 -145.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.01 7.59 41.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.61 104.66 17.38 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.653 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 18.3 Cg_endo -74.96 -25.69 11.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 111.006 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.545 ' CD1' ' HB3' ' A' ' 63' ' ' SER . 1.9 t80 -92.51 140.25 29.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.476 ' CD1' ' HB2' ' A' ' 82' ' ' ALA . 43.7 mt -118.65 115.0 23.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 6.4 t0 -70.19 67.06 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -141.16 149.04 54.03 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.027 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -3.51 14.03 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.469 1.773 . . . . 0.0 111.027 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.423 ' O ' ' CE1' ' A' ' 98' ' ' PHE . 0.4 OUTLIER -82.65 -41.32 19.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.61 119.67 12.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.423 ' CE1' ' O ' ' A' ' 96' ' ' ASP . 10.3 m-85 -106.44 138.34 42.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -140.3 145.47 37.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.506 ' CZ ' ' HB2' ' A' ' 73' ' ' GLN . 41.5 p90 -139.55 143.02 37.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.572 ' CE1' HD11 ' A' ' 38' ' ' LEU . 16.4 m-85 -61.44 134.13 93.4 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 111.049 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 72.94 4.47 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.0 t70 174.58 -36.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.3 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -45.36 -68.55 0.95 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.62 ' HA ' HD12 ' A' ' 13' ' ' LEU . . . -44.93 -51.01 10.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 0.0 109.296 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.78 ' C ' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -54.94 -56.57 18.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -51.75 -39.37 58.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.978 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.62 HD12 ' HA ' ' A' ' 10' ' ' ALA . 60.9 mt -58.27 -47.44 83.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.25 -48.47 81.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.029 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 11.5 mtt -45.32 -37.8 5.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.979 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.82 -46.73 71.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.522 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.8 t0 -52.51 110.89 2.15 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.412 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 18.4 Cg_endo -74.94 -0.46 9.97 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.44 1.758 . . . . 0.0 111.043 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -117.26 -55.44 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 110.282 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -94.79 10.37 35.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.522 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -135.95 -154.19 6.83 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.782 HD13 HD13 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -68.75 162.91 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.55 0.794 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.446 ' N ' HG23 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -87.82 -176.1 5.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -150.0 89.86 1.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.534 HD22 ' N ' ' A' ' 25' ' ' LEU . 2.5 mm? -105.28 165.61 10.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -111.28 110.17 20.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.8 t . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -77.31 101.32 6.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -86.15 146.97 26.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 46.52 77.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.554 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.705 ' C ' HD23 ' A' ' 38' ' ' LEU . 85.6 m -145.53 175.12 10.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 108.275 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.782 HD13 HD13 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -130.03 -157.18 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.698 HG23 ' O ' ' A' ' 38' ' ' LEU . 2.0 p -159.77 139.72 11.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.385 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.426 ' HA2' ' CE2' ' A' ' 91' ' ' PHE . . . -37.9 -43.9 1.35 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.0 t -68.99 -44.99 71.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 110.026 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 39' ' ' THR . . . -65.59 -44.55 92.55 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.549 1.156 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.642 ' HA ' HD11 ' A' ' 22' ' ' ILE . 96.2 t -47.18 -48.43 8.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.493 0.76 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.769 HG21 ' HD2' ' A' ' 56' ' ' ARG . 11.3 mt -74.48 -44.25 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -40.87 -46.71 2.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.643 ' CZ3' ' CD1' ' A' ' 52' ' ' LEU . 60.0 t90 -60.73 -56.77 17.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 107.967 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.462 HD23 ' CD1' ' A' ' 52' ' ' LEU . 49.5 mt -46.08 -46.35 16.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.254 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.448 HG21 ' HG2' ' A' ' 56' ' ' ARG . 24.9 t -71.0 -32.26 47.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 46' ' ' TRP . 0.2 OUTLIER -68.5 -46.54 69.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.975 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.622 ' ND2' ' CD2' ' A' ' 46' ' ' TRP . 6.9 p30 -83.0 -20.04 35.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 47' ' ' LEU . 3.9 mmtp 80.01 36.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.643 ' CD1' ' CZ3' ' A' ' 46' ' ' TRP . 8.2 mt -69.23 -10.73 59.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.531 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 2.4 m -139.65 -171.43 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.1 mtt180 -95.96 -26.08 15.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.339 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -161.85 -177.93 6.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.769 ' HD2' HG21 ' A' ' 44' ' ' ILE . 0.6 OUTLIER -61.7 -39.37 91.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.416 ' O ' ' HB3' ' A' ' 60' ' ' LEU . 4.0 tm0? -49.33 -70.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.531 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 2.9 mt-10 -38.14 -48.84 1.29 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 110.239 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.597 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -53.25 -47.87 60.61 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.416 ' HB3' ' O ' ' A' ' 57' ' ' GLN . 2.8 tp -50.54 -65.55 0.54 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.406 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 23.2 mtm -47.13 -52.2 16.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 65' ' ' SER . 10.0 mm -56.31 -57.95 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.558 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 4.4 m -36.59 -49.16 0.74 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.996 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 61' ' ' MET . . . -50.6 -52.05 42.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -51.05 -43.09 60.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.952 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.563 HD11 ' CD2' ' A' ' 11' ' ' LEU . 2.6 mm? -61.89 -55.89 24.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.536 HD12 ' O ' ' A' ' 72' ' ' LEU . 2.7 tp -56.14 -56.67 18.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -37.92 -67.67 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.003 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -41.03 -39.95 1.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 114.86 26.61 3.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.577 1.173 . . . . 0.0 110.952 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.424 ' O ' HD13 ' A' ' 72' ' ' LEU . 25.7 m-85 -81.96 -25.47 34.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 0.74 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.536 ' O ' HD12 ' A' ' 67' ' ' LEU . 2.4 mm? -118.43 127.39 53.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -100.36 128.28 30.81 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 138.35 22.88 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.483 1.781 . . . . 0.0 111.031 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -137.69 122.46 18.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 134.49 -91.76 0.24 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 178.11 -37.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 0.774 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.629 HD21 HD22 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -61.19 -79.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.768 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 15.2 p -39.84 -37.03 0.5 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 110.001 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -56.88 -53.49 57.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 78' ' ' LEU . 16.0 m-80 -54.08 -25.54 22.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.236 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.768 ' HB3' ' O ' ' A' ' 79' ' ' SER . . . -64.06 -68.46 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -50.59 -24.67 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -55.51 -62.67 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 162.29 53.97 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.46 1.1 . . . . 0.0 110.955 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.677 HG22 ' N ' ' A' ' 87' ' ' ALA . 3.5 mm -73.52 -78.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.677 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -131.94 -143.84 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -91.58 -17.49 25.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 110.278 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -111.03 105.5 57.14 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.409 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 18.3 Cg_endo -74.96 -22.56 14.77 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.493 1.786 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.644 ' C ' HD12 ' A' ' 92' ' ' LEU . 1.9 t80 -86.25 131.43 34.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.705 HD12 ' N ' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -104.89 107.43 18.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.331 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -68.78 67.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -144.42 151.91 52.16 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -2.2 12.22 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.528 1.804 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.56 ' O ' ' CE2' ' A' ' 98' ' ' PHE . 0.3 OUTLIER -83.53 -52.49 6.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.401 ' O ' ' HA ' ' A' ' 39' ' ' THR . . . -59.9 119.33 7.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.56 ' CE2' ' O ' ' A' ' 96' ' ' ASP . 8.9 m-85 -105.67 132.09 52.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.951 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.432 ' CE1' HD13 ' A' ' 67' ' ' LEU . 26.8 m-85 -131.54 146.5 52.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 35.2 p90 -145.96 147.44 31.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.535 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 8.5 m-85 -64.74 139.35 97.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 64.59 6.03 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.534 1.807 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -167.61 -43.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.446 ' CD2' ' HG3' ' A' ' 69' ' ' GLU . 5.8 mp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -33.49 -72.05 0.1 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -42.94 -54.76 4.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 0.785 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.666 ' C ' HD12 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -52.98 -58.12 8.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.49 ' CG ' ' CD1' ' A' ' 71' ' ' TYR . 34.9 t80 -50.29 -47.85 55.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.1 mt -49.42 -38.89 30.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.6 OUTLIER -66.57 -52.65 43.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.992 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 101' ' ' PHE . 19.6 mtt -42.85 -33.12 0.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -61.1 -43.38 98.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 14' ' ' SER . 0.7 OUTLIER -55.3 118.13 17.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -2.7 12.89 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.48 1.779 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -121.7 -52.6 2.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -94.34 18.11 11.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.428 ' N ' ' HB3' ' A' ' 17' ' ' ASP . . . -138.28 -152.64 6.05 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.537 1.148 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.762 ' CG2' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -77.6 159.25 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 0.742 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.2 -174.97 4.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -153.14 101.65 2.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.332 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.94 170.03 8.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -109.01 111.22 22.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.2 t . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -71.38 102.13 2.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -86.62 164.56 16.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 42.43 53.95 4.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.553 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -116.32 166.15 12.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.167 . . . . 0.0 108.317 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.762 HD22 ' CG2' ' A' ' 22' ' ' ILE . 0.5 OUTLIER -127.96 -155.51 0.7 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.953 ' O ' HG13 ' A' ' 43' ' ' VAL . 2.5 p -159.12 135.93 9.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.416 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.402 ' C ' HG22 ' A' ' 43' ' ' VAL . . . -56.64 -26.34 52.84 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.539 1.15 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.44 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 31.3 t -83.92 -41.44 17.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 0.762 . . . . 0.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.47 -43.91 43.35 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.109 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.953 HG13 ' O ' ' A' ' 39' ' ' THR . 17.4 m -51.23 -55.35 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.762 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.687 HG22 ' HD2' ' A' ' 56' ' ' ARG . 78.5 mt -54.89 -37.81 42.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -60.33 -39.79 88.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.52 ' CG ' HG13 ' A' ' 22' ' ' ILE . 79.4 t90 -68.03 -38.35 82.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 107.973 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 51.6 mt -55.98 -37.68 69.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 43.3 t -85.64 -40.65 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.361 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.64 -47.48 40.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.986 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.46 ' ND2' ' CE2' ' A' ' 46' ' ' TRP . 13.4 m-80 -81.32 -22.55 38.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 10.2 mmtt 84.43 65.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.365 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.485 ' HA ' HD23 ' A' ' 52' ' ' LEU . 12.9 mt -103.66 -25.96 12.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.443 ' HB ' ' CB ' ' A' ' 58' ' ' GLU . 16.5 m -128.0 179.76 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -84.97 -30.33 24.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -160.92 161.37 31.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.687 ' HD2' HG22 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -42.75 -47.61 5.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.309 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.76 -63.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.445 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -45.4 -48.61 13.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.365 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.409 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -52.33 -41.22 54.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.109 . . . . 0.0 110.978 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.411 HD23 HD11 ' A' ' 44' ' ' ILE . 1.1 tm? -55.03 -57.07 13.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.771 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 32.6 mtm -56.03 -48.74 75.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 65' ' ' SER . 25.8 mm -60.35 -50.99 78.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.566 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 64.9 m -40.02 -52.24 2.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.99 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.494 ' HB1' ' HD2' ' A' ' 90' ' ' PRO . . . -45.22 -48.84 12.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -52.11 -41.38 62.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.027 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.592 HD11 ' CD2' ' A' ' 11' ' ' LEU . 1.2 mm? -64.53 -57.08 10.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.613 HD22 ' O ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -55.42 -61.07 2.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.481 ' N ' HD13 ' A' ' 67' ' ' LEU . 1.7 t -38.0 -62.88 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.049 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.446 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 21.6 mm-40 -44.01 -40.34 4.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.301 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 114.64 31.68 2.09 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.645 ' C ' HD22 ' A' ' 72' ' ' LEU . 33.6 m-85 -90.24 -17.51 27.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.751 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.645 HD22 ' C ' ' A' ' 71' ' ' TYR . 2.7 mm? -126.22 124.92 41.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.45 ' CB ' ' CZ ' ' A' ' 100' ' ' TYR . 34.9 mm-40 -94.03 126.07 50.38 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 120.37 6.02 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.547 1.814 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.437 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -112.5 143.49 43.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 98.82 -124.9 8.37 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -139.34 -48.13 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 0.73 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 81' ' ' ASN . 0.6 OUTLIER -49.01 -75.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.517 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 36.8 m -41.91 -39.45 1.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.978 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -59.3 -47.62 84.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 78' ' ' LEU . 51.3 m-20 -60.42 -36.28 77.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.699 ' HB1' ' O ' ' A' ' 90' ' ' PRO . . . -53.71 -59.24 4.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.25 43.91 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -111.29 -65.15 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -158.88 25.41 0.36 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.131 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.67 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 5.8 mm -63.53 -66.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.502 0.766 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 86' ' ' ILE . . . 83.79 160.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 89' ' ' ASN . 2.4 tt0 74.43 -10.38 1.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 88' ' ' GLU . 0.8 OUTLIER 157.5 107.17 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.699 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 18.4 Cg_endo -75.05 -29.68 7.89 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.491 1.785 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 1.3 t80 -76.62 149.42 36.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.622 ' CD1' ' HB2' ' A' ' 82' ' ' ALA . 56.9 mt -126.53 107.16 9.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -68.04 69.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -139.55 147.84 53.79 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -5.23 16.53 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.792 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.47 ' O ' ' CE2' ' A' ' 98' ' ' PHE . 0.7 OUTLIER -84.32 -50.61 7.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.34 117.35 5.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.47 ' CE2' ' O ' ' A' ' 96' ' ' ASP . 31.6 m-85 -105.5 129.0 53.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -126.83 134.57 50.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.45 ' CZ ' ' CB ' ' A' ' 73' ' ' GLN . 36.8 p90 -127.29 141.09 51.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.462 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 18.1 m-85 -58.43 146.26 72.88 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 101' ' ' PHE . 18.4 Cg_endo -75.03 62.43 5.88 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -176.96 -39.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.578 1.174 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.5 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.941 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.517 ' O ' ' C ' ' A' ' 9' ' ' GLY . 5.9 mp . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.517 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -28.21 -68.91 0.07 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.14 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.81 -60.25 3.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.905 HD13 ' N ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -47.56 -55.6 8.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.905 ' N ' HD13 ' A' ' 11' ' ' LEU . 40.9 t80 -51.64 -52.83 44.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.555 HD23 ' HE3' ' A' ' 16' ' ' LYS . 20.6 mt -42.87 -38.0 2.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.4 ' C ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -68.68 -53.62 21.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.6 mtt -43.84 -25.84 0.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.555 ' HE3' HD23 ' A' ' 13' ' ' LEU . 2.1 mtmp? -66.36 -48.33 70.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.517 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 2.7 t70 -48.64 115.26 4.23 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.85 10.47 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.772 . . . . 0.0 110.973 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -118.23 -54.68 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.345 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -97.0 14.48 25.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.517 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -139.02 -156.74 7.09 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.436 1.085 . . . . 0.0 111.047 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.878 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -74.34 150.47 7.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.523 0.778 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.427 ' HD3' ' N ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -88.7 -174.09 4.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -141.2 85.06 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.328 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.634 HD22 ' N ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -85.75 150.83 24.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -85.61 132.6 34.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.534 HD13 ' CD1' ' A' ' 98' ' ' PHE . 3.1 mt . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 33' ' ' VAL . 52.3 t . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -72.96 102.01 3.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.69 150.18 20.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 11.6 m170 65.74 57.05 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.603 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 95.6 m -133.41 159.19 41.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 108.324 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.727 ' O ' HG23 ' A' ' 39' ' ' THR . 5.5 mt -116.57 -150.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.737 ' O ' HG13 ' A' ' 43' ' ' VAL . 1.7 p -160.52 127.89 4.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.387 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.411 ' C ' HG22 ' A' ' 43' ' ' VAL . . . -48.23 -26.04 4.52 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.528 1.142 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.457 ' O ' ' NH2' ' A' ' 56' ' ' ARG . 2.3 t -84.42 -43.68 14.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 0.789 . . . . 0.0 110.043 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.68 -43.26 60.45 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.878 ' HA ' HD11 ' A' ' 22' ' ' ILE . 16.2 m -51.46 -54.99 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 0.0 109.347 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.716 ' HA ' HD12 ' A' ' 47' ' ' LEU . 74.6 mt -55.17 -49.44 72.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -46.0 -40.46 10.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.517 ' CG ' HG13 ' A' ' 22' ' ' ILE . 82.4 t90 -67.32 -42.39 83.69 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.716 HD12 ' HA ' ' A' ' 44' ' ' ILE . 72.2 mt -53.1 -49.41 66.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 51' ' ' LYS . 46.9 t -70.33 -48.67 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.09 -50.51 4.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.474 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 13.4 m-80 -78.29 -25.46 46.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 7.5 mmtt 86.22 49.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.544 HD11 HD23 ' A' ' 11' ' ' LEU . 11.1 mt -80.86 -28.62 35.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.486 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 2.5 m -125.22 -172.53 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.7 mtt180 -97.46 -24.36 15.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.247 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -154.33 175.35 13.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.457 ' NH2' ' O ' ' A' ' 41' ' ' SER . 10.6 ttt-85 -64.05 -40.58 96.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 60' ' ' LEU . 5.7 tm0? -49.15 -65.08 0.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.486 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 2.2 mt-10 -40.6 -47.8 2.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -56.35 -40.03 84.35 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.539 1.149 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.6 OUTLIER -58.22 -47.53 83.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 0.763 . . . . 0.0 109.277 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 26.4 mtm -67.28 -51.85 47.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.1 mm -54.21 -49.33 63.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.571 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 3.4 m -43.52 -50.34 7.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.0 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -50.14 -45.29 52.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.27 -37.98 62.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.741 HD11 HD11 ' A' ' 11' ' ' LEU . 19.9 mt -68.64 -57.72 5.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.78 HD21 ' HB2' ' A' ' 83' ' ' ALA . 11.8 tp -50.13 -55.54 14.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.64 -65.11 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.036 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -45.26 -33.39 2.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 107.52 30.84 3.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.58 ' C ' HD22 ' A' ' 72' ' ' LEU . 21.7 m-85 -85.94 -22.94 27.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.782 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.677 ' O ' HD12 ' A' ' 67' ' ' LEU . 2.9 mm? -119.19 120.42 37.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.424 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . 17.4 mm-40 -97.89 130.64 28.37 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -75.01 126.97 10.3 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.485 1.782 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -118.69 102.05 8.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 133.95 -122.54 3.04 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.461 1.1 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.76 -50.32 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 0.783 . . . . 0.0 109.356 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.615 ' C ' HD23 ' A' ' 78' ' ' LEU . 5.8 tt -47.39 -71.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.5 p -49.09 -24.45 1.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.992 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -51.02 18.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -57.36 -42.03 81.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.561 ' HB2' ' CD1' ' A' ' 92' ' ' LEU . . . -52.61 -59.01 4.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.78 ' HB2' HD21 ' A' ' 67' ' ' LEU . . . -89.21 43.33 1.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.108 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -111.72 -65.06 1.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.422 1.076 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -160.3 25.66 0.3 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.682 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 4.9 mm -65.09 -67.07 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 0.776 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 86' ' ' ILE . . . 84.0 164.33 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER 73.14 -7.0 1.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.256 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.538 ' CB ' ' O ' ' A' ' 88' ' ' GLU . 1.0 OUTLIER 153.65 102.15 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.336 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.527 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 18.5 Cg_endo -74.99 -29.55 8.12 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.508 1.793 . . . . 0.0 111.042 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.571 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 1.5 t80 -79.52 139.37 37.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.561 ' CD1' ' HB2' ' A' ' 82' ' ' ALA . 79.7 mt -117.66 109.7 16.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.44 ' OD1' ' NH1' ' A' ' 56' ' ' ARG . 22.7 t0 -68.38 72.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.55 147.98 35.25 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.985 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.434 ' HA ' ' HB ' ' A' ' 39' ' ' THR . 18.5 Cg_endo -74.96 -4.71 15.81 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.467 1.772 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.437 ' O ' ' CZ ' ' A' ' 98' ' ' PHE . 0.2 OUTLIER -82.71 -48.26 11.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.278 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.84 112.06 3.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.534 ' CD1' HD13 ' A' ' 27' ' ' LEU . 9.5 m-85 -100.77 139.13 36.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -139.59 140.19 36.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 111.05 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.424 ' CE1' ' HB2' ' A' ' 73' ' ' GLN . 33.5 p90 -131.56 146.71 52.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 111.058 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.549 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 12.9 m-85 -65.51 138.16 96.76 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 72.51 4.61 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.511 1.795 . . . . 0.0 110.945 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -177.04 -41.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.021 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 12' ' ' TYR . 5.0 mp . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.497 ' O ' ' CD1' ' A' ' 13' ' ' LEU . . . -36.98 -79.1 0.04 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.429 1.081 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.49 -43.69 8.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 0.785 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.868 HD23 ' C ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -57.07 -50.61 72.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.489 ' N ' ' O ' ' A' ' 8' ' ' LEU . 18.3 t80 -58.66 -48.42 81.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.966 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 9' ' ' GLY . 7.8 mp -46.45 -37.8 8.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.4 OUTLIER -69.97 -52.52 23.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.972 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.523 ' SD ' HD21 ' A' ' 11' ' ' LEU . 8.4 mtt -46.29 -24.91 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.08 -40.64 78.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.491 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.1 t0 -58.06 112.74 5.23 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -0.72 10.32 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.524 1.802 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -119.03 -52.68 2.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -98.86 17.19 20.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -138.64 -154.22 6.39 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.543 1.152 . . . . 0.0 110.963 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.828 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -70.59 151.56 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.761 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.55 161.08 15.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.515 ' C ' HD13 ' A' ' 25' ' ' LEU . 34.3 mt-10 -124.48 105.36 9.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.548 HD22 ' N ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -109.52 166.54 10.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 1.016 ' O ' HD13 ' A' ' 27' ' ' LEU . 1.9 p30 -102.93 131.12 50.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.174 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.016 HD13 ' O ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.1 t . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -77.16 101.54 6.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -102.06 157.22 17.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 52.65 42.24 31.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.601 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 73.4 m -121.01 -176.73 3.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 108.291 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.734 HD22 ' CG2' ' A' ' 22' ' ' ILE . 0.7 OUTLIER -127.22 -148.92 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.7 HG23 ' O ' ' A' ' 38' ' ' LEU . 2.2 p -159.9 129.19 5.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.4 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 39' ' ' THR . . . -37.29 -55.7 1.54 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.54 1.15 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 t -64.96 -49.71 69.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 45' ' ' ASP . . . -52.25 -51.98 38.88 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.555 1.159 . . . . 0.0 111.044 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.828 ' HA ' HD11 ' A' ' 22' ' ' ILE . 65.6 t -45.44 -50.26 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.57 0.806 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.933 ' HA ' HD12 ' A' ' 47' ' ' LEU . 25.2 mt -69.4 -28.68 39.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 42' ' ' GLY . 7.0 t0 -62.07 -42.83 99.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.543 ' CG ' HG13 ' A' ' 22' ' ' ILE . 81.6 t90 -64.1 -34.27 77.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 108.055 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.933 HD12 ' HA ' ' A' ' 44' ' ' ILE . 23.4 mt -65.67 -53.8 36.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 80.2 t -66.77 -37.93 80.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.69 -47.98 69.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.436 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 12.9 m-80 -82.12 -18.83 41.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.436 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 3.6 mmtt 83.52 42.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.814 HD12 HD23 ' A' ' 47' ' ' LEU . 9.6 mt -71.57 -25.48 62.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 2.6 m -130.66 -172.48 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.2 mtt85 -97.89 -27.08 14.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.344 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.409 ' N ' ' ND2' ' A' ' 55' ' ' ASN . 0.5 OUTLIER -152.49 172.05 17.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.65 ' HD2' HG21 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -59.81 -42.41 93.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 58' ' ' GLU . 5.7 tm0? -47.39 -66.41 0.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.492 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 2.2 mt-10 -38.26 -49.13 1.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.269 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.501 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -57.51 -47.21 89.89 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.44 HD23 ' HB2' ' A' ' 93' ' ' ASP . 0.5 OUTLIER -44.56 -50.63 9.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.0 109.29 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.443 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 26.5 mtm -64.01 -57.14 10.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 63' ' ' SER . 28.3 mm -50.8 -54.87 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.545 ' HB3' ' CD2' ' A' ' 91' ' ' PHE . 18.8 m -37.47 -50.49 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 61' ' ' MET . . . -47.26 -54.87 9.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.413 ' CB ' HD21 ' A' ' 8' ' ' LEU . 1.3 t -45.72 -44.94 14.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.01 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.648 HD11 HD22 ' A' ' 11' ' ' LEU . 1.5 mm? -63.34 -55.79 21.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.506 HD22 ' O ' ' A' ' 67' ' ' LEU . 0.7 OUTLIER -55.02 -61.78 2.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.46 ' N ' HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -37.9 -66.21 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.02 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -38.69 -38.83 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 114.4 0.16 23.55 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.402 ' CE2' ' HB3' ' A' ' 8' ' ' LEU . 32.9 m-85 -57.42 -15.88 7.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 0.0 110.977 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.3 mt -132.26 126.07 32.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.509 ' CB ' ' CZ ' ' A' ' 100' ' ' TYR . 19.2 mm-40 -94.89 130.74 32.05 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 138.61 23.16 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.492 1.785 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -137.83 107.6 6.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.93 -108.29 0.51 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -159.18 -52.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 0.777 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.437 HD22 HD23 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -40.88 -79.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.636 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 95.4 p -43.02 -54.57 4.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -45.15 -68.84 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -43.29 -34.58 1.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' A' ' 79' ' ' SER . . . -69.46 -57.25 5.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -50.94 -25.88 5.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.347 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.49 -63.0 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 165.22 59.66 0.02 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.7 mm -77.66 -64.14 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.774 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -152.84 -140.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.29 12.5 36.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -134.15 91.94 22.54 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.441 ' O ' ' CD1' ' A' ' 92' ' ' LEU . 18.3 Cg_endo -74.95 -25.99 11.45 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.537 1.809 . . . . 0.0 111.027 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.571 ' C ' HD12 ' A' ' 92' ' ' LEU . 2.8 t80 -85.45 127.94 34.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.691 HD12 ' N ' ' A' ' 92' ' ' LEU . 1.2 mp -103.12 110.02 21.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.44 ' HB2' HD23 ' A' ' 60' ' ' LEU . 12.5 t70 -70.21 65.48 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.45 149.46 65.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -11.92 21.56 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.587 ' O ' ' CE2' ' A' ' 98' ' ' PHE . 0.8 OUTLIER -73.87 -58.25 3.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -46.13 158.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.587 ' CE2' ' O ' ' A' ' 96' ' ' ASP . 53.8 m-85 -146.74 135.14 21.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 38' ' ' LEU . 88.3 m-85 -133.53 153.73 51.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.974 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.509 ' CZ ' ' CB ' ' A' ' 73' ' ' GLN . 39.0 p90 -144.53 142.52 30.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.402 ' CZ ' ' HB3' ' A' ' 15' ' ' MET . 34.7 m-85 -63.24 149.88 90.3 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 72.82 4.52 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 0.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.9 t0 174.73 -39.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.998 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 m -107.22 -16.27 14.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 0.791 . . . . 0.0 109.958 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.26 -12.07 23.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.993 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.27 -169.23 14.57 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.499 1.125 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 56.34 60.6 3.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 0.745 . . . . 0.0 110.025 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 m -50.88 117.16 2.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 110.006 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.64 -82.13 0.3 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 9' ' ' GLY . 4.8 mp -40.9 -61.68 0.93 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -35.53 -71.87 0.15 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.27 -52.58 7.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 0.782 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.983 HD21 HD11 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -53.11 -56.13 18.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.578 ' CD2' ' CD1' ' A' ' 71' ' ' TYR . 22.4 t80 -52.97 -53.7 45.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 48.8 mt -43.79 -35.77 2.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.5 OUTLIER -72.31 -51.55 20.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.002 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 8.1 mtt -44.18 -29.59 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.96 -44.5 95.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.485 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.5 t0 -55.0 114.6 7.3 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -2.05 12.03 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.478 1.778 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -118.1 -54.46 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -94.43 13.36 24.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.485 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -137.81 -155.09 6.75 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.442 1.089 . . . . 0.0 111.037 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.754 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -70.63 156.41 7.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 0.75 . . . . 0.0 109.267 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.409 ' O ' HG23 ' A' ' 22' ' ' ILE . 1.2 mttm -88.76 -175.34 4.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -149.44 106.34 3.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 110.326 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.81 171.73 7.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -110.43 102.73 11.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.281 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.2 mt -96.9 162.87 13.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.574 ' HG3' HG22 ' A' ' 33' ' ' VAL . 0.6 OUTLIER -128.77 170.45 13.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.315 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -169.64 112.76 0.49 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 72.49 -69.66 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.46 55.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.415 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -154.93 121.43 5.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.363 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.574 HG22 ' HG3' ' A' ' 28' ' ' GLU . 79.4 t -86.71 142.88 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.415 ' CE1' ' HG3' ' A' ' 32' ' ' LYS . 35.7 m-85 -126.98 101.43 6.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -87.44 156.86 19.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 49.37 53.09 13.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.615 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.514 ' C ' HD23 ' A' ' 38' ' ' LEU . 10.8 m -125.98 163.44 22.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 108.337 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.514 HD23 ' C ' ' A' ' 37' ' ' CYS . 1.7 mt -119.1 -150.87 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.51 ' O ' HG23 ' A' ' 43' ' ' VAL . 2.3 p -152.78 135.29 15.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.375 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -43.95 -52.32 6.84 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.546 1.153 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -73.65 -46.16 48.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 110.05 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 45' ' ' ASP . . . -52.14 -47.94 53.98 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.754 ' HA ' HD11 ' A' ' 22' ' ' ILE . 41.6 t -48.16 -39.68 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.903 ' HA ' HD12 ' A' ' 47' ' ' LEU . 10.5 mt -78.7 -29.23 14.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 42' ' ' GLY . 7.9 t0 -59.95 -41.39 91.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.52 ' CG ' HG13 ' A' ' 22' ' ' ILE . 84.0 t90 -66.87 -34.31 77.52 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.97 HD23 HD12 ' A' ' 52' ' ' LEU . 21.2 mt -65.09 -55.54 18.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 72.1 t -66.57 -41.49 88.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.4 m -48.81 -49.75 37.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.944 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.422 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 7.4 m-80 -82.35 -18.86 40.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 4.3 mmtt 82.51 55.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.97 HD12 HD23 ' A' ' 47' ' ' LEU . 12.2 mt -84.98 -20.44 30.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 2.6 m -134.54 -173.41 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -93.2 -29.16 15.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -153.43 173.24 15.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.093 . . . . 0.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.714 ' HD2' HG21 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -60.34 -40.64 91.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.282 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -48.01 -65.05 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.466 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 1.7 mt-10 -38.58 -48.4 1.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.35 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.56 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -57.95 -43.71 94.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.6 OUTLIER -48.72 -45.97 40.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 0.721 . . . . 0.0 109.265 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 43.3 mtm -67.41 -54.75 17.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 23.9 mm -54.23 -52.08 41.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 91' ' ' PHE . 15.1 m -39.83 -49.57 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.975 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.56 -52.19 49.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.52 -40.45 59.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.023 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.983 HD11 HD21 ' A' ' 11' ' ' LEU . 27.3 mt -64.13 -56.49 14.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.593 HD12 ' O ' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -56.3 -56.6 19.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -37.25 -69.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.981 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -39.67 -39.65 0.79 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 115.49 15.38 7.6 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.464 1.103 . . . . 0.0 110.974 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.578 ' CD1' ' CD2' ' A' ' 12' ' ' TYR . 23.7 m-85 -72.4 -16.12 61.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.757 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.593 ' O ' HD12 ' A' ' 67' ' ' LEU . 14.8 mt -135.2 122.37 21.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.434 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . 17.5 mm-40 -98.08 137.3 20.84 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 145.28 31.23 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.802 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -149.59 114.56 5.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 120.25 -92.61 0.52 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' SER . 0.3 OUTLIER -165.35 -172.59 2.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.751 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.0 mp 65.26 -77.15 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.45 ' HB2' ' CE1' ' A' ' 99' ' ' TYR . 78.9 p -45.36 -48.11 13.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.67 -59.26 4.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -48.8 -34.05 11.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.446 ' HA ' ' CG1' ' A' ' 86' ' ' ILE . . . -69.7 -58.94 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -49.6 -25.37 2.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -55.63 -63.16 1.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 166.7 50.18 0.03 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.651 HG22 ' N ' ' A' ' 87' ' ' ALA . 3.4 mm -67.5 -75.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 0.749 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.651 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -137.29 -145.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.95 8.75 36.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -133.53 106.58 11.96 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.463 ' HB2' ' CD2' ' A' ' 67' ' ' LEU . 18.4 Cg_endo -74.99 -31.94 5.81 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.48 1.779 . . . . 0.0 111.024 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 63' ' ' SER . 3.6 t80 -77.95 153.86 32.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.435 HD11 ' HB2' ' A' ' 82' ' ' ALA . 21.4 mt -134.44 113.29 11.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -73.33 67.68 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.14 147.14 62.66 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -11.33 21.51 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.454 1.766 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.515 ' O ' ' CZ ' ' A' ' 98' ' ' PHE . 18.1 m-20 -79.74 -46.53 16.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.98 143.59 56.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.515 ' CZ ' ' O ' ' A' ' 96' ' ' ASP . 16.6 m-85 -133.39 149.38 51.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.534 ' CE1' HD13 ' A' ' 67' ' ' LEU . 94.0 m-85 -140.68 163.77 31.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.434 ' CE1' ' HB2' ' A' ' 73' ' ' GLN . 26.5 p90 -156.46 150.05 24.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -70.96 142.69 88.08 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 111.036 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 72.17 4.75 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.541 1.811 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -176.75 -40.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.03 -77.65 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.043 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 48.84 -171.3 0.07 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 111.061 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 98.64 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.547 1.814 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.27 125.83 26.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 110.006 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.6 p -62.47 131.42 49.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 61.43 92.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 110.012 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.22 156.17 38.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.972 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.83 -144.83 4.43 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.37 -57.56 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.782 . . . . 0.0 110.004 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.89 -54.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.034 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.55 70.54 0.29 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.558 1.161 . . . . 0.0 111.041 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.746 HD22 ' CD2' ' A' ' 66' ' ' LEU . 78.9 mt -128.77 -52.35 1.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.735 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -35.81 -55.48 1.09 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.4 -49.87 6.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.763 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 8' ' ' LEU . 41.6 mt -55.09 -62.73 1.47 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.526 ' CG ' ' CD1' ' A' ' 71' ' ' TYR . 31.0 t80 -46.77 -43.41 18.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 78.7 mt -59.77 -47.19 86.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.82 -50.08 53.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.991 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 11.1 mtp -48.76 -22.17 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.428 ' CG ' ' O ' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -68.86 -43.41 75.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.454 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 2.2 t0 -56.64 116.71 13.78 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -2.15 12.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.545 1.813 . . . . 0.0 110.999 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -119.05 -54.01 2.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 110.328 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -94.18 14.8 18.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.454 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -138.53 -154.31 6.43 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.795 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -68.54 155.19 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.778 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.4 ' O ' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -82.7 178.21 8.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -146.44 95.73 2.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.92 153.65 20.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.969 ' C ' HD13 ' A' ' 27' ' ' LEU . 7.6 p-10 -101.54 125.41 48.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.969 HD13 ' C ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -124.46 148.6 47.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -120.86 86.11 2.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 31' ' ' LYS . 3.4 tttt -81.66 115.47 20.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.42 -70.47 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.263 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -168.13 38.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -127.6 100.94 6.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.567 HG12 ' ND2' ' A' ' 35' ' ' ASN . 76.1 t -73.2 83.9 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.452 ' CE1' ' HB1' ' A' ' 75' ' ' ALA . 52.9 m-85 -70.97 104.16 2.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.939 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.567 ' ND2' HG12 ' A' ' 33' ' ' VAL . 1.9 m-80 -99.92 142.25 31.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 60.46 50.95 5.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.54 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.487 ' C ' HD23 ' A' ' 38' ' ' LEU . 66.9 m -121.44 166.37 14.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 108.279 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.615 ' O ' HG23 ' A' ' 39' ' ' THR . 1.0 OUTLIER -118.41 -150.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.615 HG23 ' O ' ' A' ' 38' ' ' LEU . 2.3 p -157.4 137.03 12.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.428 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -45.58 -44.31 11.67 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 110.948 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.8 t -75.45 -53.25 8.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 109.954 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -50.8 -44.5 48.8 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 111.055 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.795 ' HA ' HD11 ' A' ' 22' ' ' ILE . 39.9 t -51.4 -42.71 28.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.711 HG21 ' HD2' ' A' ' 56' ' ' ARG . 17.5 mt -78.61 -27.11 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -63.84 -39.42 94.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.528 ' CG ' HG13 ' A' ' 22' ' ' ILE . 85.9 t90 -67.4 -34.83 78.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 107.989 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.901 HD23 HD12 ' A' ' 52' ' ' LEU . 81.2 mt -64.87 -53.9 39.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.2 t -67.77 -43.23 86.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.9 m -46.7 -50.15 18.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.971 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.421 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 8.8 m-80 -82.16 -20.17 38.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 4.4 mmtt 82.72 53.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.901 HD12 HD23 ' A' ' 47' ' ' LEU . 12.0 mt -82.94 -20.83 34.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 2.8 m -132.15 -172.13 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.3 mtt-85 -95.87 -23.05 17.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.334 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.442 ' N ' ' ND2' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -157.95 176.23 12.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.252 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.711 ' HD2' HG21 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -63.98 -40.12 95.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.243 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.439 ' CB ' ' OD1' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -48.45 -66.64 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.102 . . . . 0.0 110.335 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.477 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 1.8 mt-10 -38.29 -49.34 1.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.493 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -57.76 -49.2 76.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -44.18 -50.15 8.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 32.0 mtm -63.97 -57.08 10.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 65' ' ' SER . 11.6 mm -51.28 -55.27 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.547 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 5.7 m -37.3 -51.23 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.971 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -50.78 -50.78 55.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.255 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -49.6 -42.77 45.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.97 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.746 ' CD2' HD22 ' A' ' 8' ' ' LEU . 2.2 mm? -62.49 -56.76 15.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.242 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.693 HD12 ' O ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -53.55 -57.81 9.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.1 OUTLIER -42.69 -64.67 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.044 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -40.52 -29.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 68' ' ' SER . . . 102.83 28.18 6.35 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.526 ' CD1' ' CG ' ' A' ' 12' ' ' TYR . 26.3 m-85 -89.27 -20.3 24.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 0.775 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.693 ' O ' HD12 ' A' ' 67' ' ' LEU . 15.5 mt -132.95 118.79 19.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.412 ' HB2' ' CZ ' ' A' ' 100' ' ' TYR . 92.1 mm-40 -91.93 144.16 28.84 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 136.82 20.83 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.542 1.812 . . . . 0.0 110.958 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.452 ' HB1' ' CE1' ' A' ' 34' ' ' PHE . . . -125.65 72.66 1.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 149.23 164.01 11.34 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.457 1.098 . . . . 0.0 110.981 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.86 -46.45 81.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 0.792 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 tt -47.39 -62.09 1.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.691 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 88.0 p -55.33 -53.84 51.06 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.564 1.165 . . . . 0.0 109.985 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -40.77 -68.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -43.8 -47.65 8.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.813 ' HB1' ' O ' ' A' ' 90' ' ' PRO . . . -46.32 -56.15 6.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.81 55.18 2.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -137.46 -61.15 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.263 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -179.71 38.06 0.07 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.422 HD13 ' HA ' ' A' ' 86' ' ' ILE . 4.4 mm -71.04 -64.97 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.405 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -152.95 -143.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.79 9.85 40.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -134.23 108.16 11.35 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.813 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 18.5 Cg_endo -74.95 -37.97 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.789 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.547 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 2.7 t80 -76.37 140.78 41.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 94' ' ' SER . 45.2 mt -123.07 112.87 18.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -68.61 68.1 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 92' ' ' LEU . 1.1 t -135.4 147.02 60.22 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.999 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -11.86 21.39 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.797 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.558 ' O ' ' CE2' ' A' ' 98' ' ' PHE . 2.9 m-20 -80.93 -44.26 18.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.01 122.04 16.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.558 ' CE2' ' O ' ' A' ' 96' ' ' ASP . 78.3 m-85 -112.61 151.39 30.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.414 ' CE1' ' HB2' ' A' ' 79' ' ' SER . 64.2 m-85 -146.51 168.01 22.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.412 ' CZ ' ' HB2' ' A' ' 73' ' ' GLN . 27.8 p90 -159.19 161.95 36.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 18.7 m-85 -80.81 142.82 53.01 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.952 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 101' ' ' PHE . 18.3 Cg_endo -75.01 70.15 5.38 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.462 1.769 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -176.07 -39.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.36 -69.32 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.951 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 42.56 -166.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 81.6 2.18 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 110.951 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.425 ' O ' ' CB ' ' A' ' 108' ' ' SER . 0.2 OUTLIER -91.76 -50.58 5.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 107' ' ' SER . 0.2 OUTLIER 79.66 -54.07 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.011 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.458 1.098 . . . . 0.0 111.047 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.66 133.24 36.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 0.737 . . . . 0.0 109.989 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 170.4 155.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.982 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.84 -173.25 18.2 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.3 m 60.97 159.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 0.791 . . . . 0.0 109.992 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.5 t -47.36 -49.36 24.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 110.011 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.89 73.75 0.06 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.508 1.13 . . . . 0.0 110.946 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.745 HD22 ' CD2' ' A' ' 66' ' ' LEU . 57.8 mt -116.9 -62.36 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -33.0 -69.16 0.16 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.53 -44.7 46.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 109.263 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.888 HD13 ' N ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -59.17 -53.51 57.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.888 ' N ' HD13 ' A' ' 11' ' ' LEU . 17.9 t80 -53.17 -41.87 65.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 16' ' ' LYS . 31.4 mt -57.72 -36.88 72.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -47.5 73.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 109.997 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.7 mtt -49.79 -38.85 36.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.95 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -50.67 -45.98 58.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.47 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 2.5 t0 -54.22 113.23 4.8 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -0.67 10.26 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.532 1.806 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -119.25 -54.61 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -94.13 12.4 26.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.47 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -135.83 -151.64 6.2 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.737 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -71.25 153.29 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.756 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.07 146.74 24.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -124.19 105.71 9.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.449 HD22 ' N ' ' A' ' 25' ' ' LEU . 2.2 mm? -98.82 162.83 12.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.401 ' ND2' ' H ' ' A' ' 26' ' ' ASN . 2.5 p30 -87.54 86.65 7.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 mt -78.67 131.35 36.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.446 ' CD ' ' CG2' ' A' ' 33' ' ' VAL . 12.6 tt0 -114.79 100.41 8.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 16.9 tptt -89.07 75.61 7.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.361 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER 75.6 -66.96 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 tttm -126.49 -50.59 1.51 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -56.67 115.81 2.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.446 ' CG2' ' CD ' ' A' ' 28' ' ' GLU . 6.9 t -113.99 107.41 22.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -96.26 107.51 19.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.532 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 6.5 m-80 -94.58 35.96 1.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.532 ' CD2' ' O ' ' A' ' 35' ' ' ASN . 6.6 m-70 -179.36 47.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.554 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.597 ' C ' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -120.33 170.08 9.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 108.308 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.652 ' O ' HG23 ' A' ' 39' ' ' THR . 3.6 mt -119.85 -148.64 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 38' ' ' LEU . 5.3 p -158.82 127.54 5.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.364 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -38.67 -45.8 2.06 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.85 -57.37 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.981 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -44.21 -45.97 8.11 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.119 . . . . 0.0 110.958 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.737 ' HA ' HD11 ' A' ' 22' ' ' ILE . 69.4 t -52.37 -49.31 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.553 HG21 ' HG3' ' A' ' 56' ' ' ARG . 43.1 mt -73.1 -21.85 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.438 ' O ' ' CB ' ' A' ' 49' ' ' SER . 3.7 t70 -72.49 -39.79 67.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.538 ' CG ' HG13 ' A' ' 22' ' ' ILE . 87.0 t90 -68.15 -33.48 74.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 108.016 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 1.034 HD23 HD12 ' A' ' 52' ' ' LEU . 86.3 mt -67.24 -53.39 30.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.4 ' O ' ' CE ' ' A' ' 51' ' ' LYS . 78.7 t -68.52 -39.89 81.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 45' ' ' ASP . 3.0 m -50.89 -52.78 38.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.959 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -82.16 -16.36 50.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.4 ' CE ' ' O ' ' A' ' 48' ' ' VAL . 3.2 mmtt 77.97 69.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 1.034 HD12 HD23 ' A' ' 47' ' ' LEU . 15.3 mt -100.14 -14.88 18.36 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.414 1.071 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.416 ' HB ' ' CB ' ' A' ' 58' ' ' GLU . 5.0 m -133.8 -172.47 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.6 mtt180 -88.3 -24.19 23.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.711 HD22 ' N ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -176.12 167.53 2.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.343 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.553 ' HG3' HG21 ' A' ' 44' ' ' ILE . 3.5 ttm180 -43.58 -46.68 7.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -43.82 -63.26 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.416 ' CB ' ' HB ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -49.17 -49.2 43.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.538 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -53.14 -48.17 59.4 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.537 1.148 . . . . 0.0 111.057 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.95 -51.53 23.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 0.771 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 15.9 mtm -62.59 -56.94 13.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 111.05 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 63' ' ' SER . 43.9 mm -48.86 -55.52 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.555 ' HB3' ' CD2' ' A' ' 91' ' ' PHE . 2.9 m -37.83 -54.86 1.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.966 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -46.76 -52.42 14.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.1 -42.75 19.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.777 HD11 ' CD1' ' A' ' 11' ' ' LEU . 1.6 mm? -65.6 -53.44 41.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.422 ' CD2' ' HB2' ' A' ' 90' ' ' PRO . 1.7 tp -54.66 -51.53 65.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.26 -63.88 0.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 110.016 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -41.47 -37.87 1.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 111.15 20.24 7.21 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.609 ' CD1' ' CD2' ' A' ' 12' ' ' TYR . 32.1 m-85 -79.15 -19.63 50.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 0.751 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.5 mt -129.33 121.34 27.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.54 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . 65.2 mm-40 -97.1 143.7 26.58 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.23 4.53 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.515 1.797 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.579 ' HB2' ' CD1' ' A' ' 100' ' ' TYR . . . -107.53 98.14 7.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 136.55 -136.12 8.17 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -126.75 -51.85 1.46 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.753 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.43 -31.6 55.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 52.0 p -76.08 -23.45 55.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.021 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -76.02 -24.71 55.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -82.16 -17.77 45.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.796 ' HB1' ' O ' ' A' ' 90' ' ' PRO . . . -70.1 -42.96 72.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.37 30.06 2.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.335 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.63 -63.48 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.165 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 158.6 42.74 0.02 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.582 HG22 ' N ' ' A' ' 87' ' ' ALA . 13.8 mt -60.91 -80.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 0.77 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.582 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -133.93 -140.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.93 7.89 42.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -135.65 106.51 9.91 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.796 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 18.5 Cg_endo -74.9 -41.02 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.535 1.808 . . . . 0.0 111.041 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.555 ' CD2' ' HB3' ' A' ' 63' ' ' SER . 3.9 t80 -62.54 149.18 43.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 94' ' ' SER . 18.1 mt -125.32 111.29 15.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -69.6 63.99 0.18 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.355 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 92' ' ' LEU . 1.6 t -134.77 145.37 54.5 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.995 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -4.23 15.1 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.51 ' O ' ' CE1' ' A' ' 98' ' ' PHE . 7.2 m-20 -86.0 -54.28 4.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -53.34 122.45 9.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.51 ' CE1' ' O ' ' A' ' 96' ' ' ASP . 25.3 m-85 -109.61 155.07 21.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 38' ' ' LEU . 95.8 m-85 -153.96 162.87 40.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.579 ' CD1' ' HB2' ' A' ' 75' ' ' ALA . 15.3 p90 -150.88 161.86 41.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.636 ' CE1' HD11 ' A' ' 38' ' ' LEU . 10.6 m-85 -84.2 139.36 39.23 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 71.64 4.98 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.474 1.776 . . . . 0.0 111.01 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 176.77 -42.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.364 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 105' ' ' GLY . 9.3 t -94.74 -72.17 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.972 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.5 ' O ' ' CB ' ' A' ' 36' ' ' HIS . . . 38.82 -159.52 0.01 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -58.45 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.482 1.78 . . . . 0.0 110.953 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.0 t 72.7 -62.64 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.025 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 36.6 p -53.67 -51.85 61.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.997 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.565 ' HB2' HD21 ' A' ' 13' ' ' LEU . 22.7 t -176.79 132.23 0.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 0.749 . . . . 0.0 109.984 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.66 143.77 39.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.81 -149.85 17.37 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.47 121.5 1.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 0.781 . . . . 0.0 109.998 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.14 -63.94 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.009 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -43.7 -63.02 2.35 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.541 HD22 ' HG ' ' A' ' 66' ' ' LEU . 9.2 mt -61.94 -55.95 24.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 0.803 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -36.58 -73.13 0.13 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -42.79 -45.93 5.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 0.797 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.661 HD21 HD11 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -58.92 -56.44 22.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.59 ' CD2' ' CD1' ' A' ' 71' ' ' TYR . 21.7 t80 -50.94 -46.43 60.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.565 HD21 ' HB2' ' A' ' 2' ' ' SER . 30.8 mt -50.74 -39.13 51.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.85 -48.23 63.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.991 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.1 mtt -45.96 -28.37 1.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 111.048 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.58 -45.9 88.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.493 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.3 t70 -53.74 113.64 5.2 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -1.46 11.24 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.532 1.806 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -118.29 -54.24 2.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.344 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -95.09 13.08 26.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.493 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -137.24 -154.54 6.69 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.84 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -76.07 151.89 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.764 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.08 161.08 14.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.491 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -132.34 121.46 23.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.294 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.31 170.66 7.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -96.06 84.97 3.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.153 . . . . 0.0 109.271 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mt -82.45 139.07 34.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.458 ' HB2' HG22 ' A' ' 33' ' ' VAL . 20.0 tt0 -128.29 150.15 50.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -124.08 -65.92 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 31' ' ' LYS . 7.0 p-10 -142.99 84.39 1.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.421 ' O ' HG23 ' A' ' 33' ' ' VAL . 9.4 mmmt 80.59 -52.51 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -58.93 125.71 24.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.458 HG22 ' HB2' ' A' ' 28' ' ' GLU . 57.8 t -118.66 95.23 3.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -70.66 101.4 2.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -93.47 151.27 19.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.441 ' ND1' ' OE2' ' A' ' 24' ' ' GLU . 46.4 m-70 53.59 39.92 30.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 109.575 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.686 ' C ' HD23 ' A' ' 38' ' ' LEU . 1.7 m -115.83 174.84 5.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 108.301 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.686 HD23 ' C ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -127.52 -150.37 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.527 ' O ' HG23 ' A' ' 43' ' ' VAL . 4.1 p -142.74 -168.51 2.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.414 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.97 -44.4 1.64 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 t -75.84 -52.78 9.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 0.755 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -48.26 -47.04 28.05 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.438 1.086 . . . . 0.0 110.963 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.84 ' HA ' HD11 ' A' ' 22' ' ' ILE . 42.8 t -45.9 -41.53 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.961 ' HA ' HD12 ' A' ' 47' ' ' LEU . 12.9 mt -77.34 -42.12 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -51.5 -40.11 58.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.511 ' CG ' HG13 ' A' ' 22' ' ' ILE . 78.7 t90 -65.39 -40.18 93.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 107.989 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.961 HD12 ' HA ' ' A' ' 44' ' ' ILE . 13.1 mt -59.82 -46.91 87.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.2 t -71.93 -44.31 67.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.53 -48.78 38.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.987 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.41 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 10.6 m-80 -81.02 -19.9 42.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 4.9 mmtt 81.04 68.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.948 HD12 HD23 ' A' ' 47' ' ' LEU . 13.8 mt -102.48 -21.4 14.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.9 m -131.56 -171.79 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -97.92 -23.4 15.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.284 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.631 HD22 ' N ' ' A' ' 55' ' ' ASN . 0.1 OUTLIER -159.5 174.89 13.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.735 ' HD2' HG21 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -61.41 -41.89 97.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.324 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.496 ' CB ' ' OD1' ' A' ' 55' ' ' ASN . 5.2 tm0? -48.0 -67.34 0.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 57' ' ' GLN . 1.3 tt0 -38.13 -50.1 1.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.563 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -54.77 -44.58 80.63 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.9 OUTLIER -48.96 -55.4 11.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.757 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 29.6 mtm -56.38 -53.58 55.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 63' ' ' SER . 27.0 mm -55.58 -52.06 51.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.573 ' HB3' ' CD2' ' A' ' 91' ' ' PHE . 43.0 m -39.27 -56.32 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.586 ' HB1' ' HD2' ' A' ' 90' ' ' PRO . . . -47.45 -48.82 26.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.58 -37.74 63.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.661 HD11 HD21 ' A' ' 11' ' ' LEU . 7.5 mt -69.41 -54.52 14.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -56.2 -57.42 12.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -42.1 -65.44 0.46 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -39.04 -38.91 0.5 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.426 1.079 . . . . 0.0 110.293 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 113.84 22.41 5.35 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.59 ' CD1' ' CD2' ' A' ' 12' ' ' TYR . 33.4 m-85 -82.24 -14.68 55.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 0.782 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.413 ' O ' HD12 ' A' ' 67' ' ' LEU . 13.9 mt -137.43 117.82 13.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.414 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 49.4 mm-40 -88.67 138.34 29.82 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -75.02 142.7 28.1 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.483 1.78 . . . . 0.0 110.948 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -136.83 113.33 10.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 128.92 -120.7 3.35 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.138 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.88 -48.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 0.738 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.417 ' CD2' HD22 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -47.19 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.263 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.74 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 1.3 m -47.52 -36.16 9.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -59.11 -47.26 85.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -57.69 -17.89 17.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.876 ' HA ' HD12 ' A' ' 86' ' ' ILE . . . -72.44 -56.83 4.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.1 -14.0 32.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -53.59 -64.88 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 157.82 43.74 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.477 1.11 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.876 HD12 ' HA ' ' A' ' 82' ' ' ALA . 24.0 mt -64.91 -72.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.481 0.754 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.442 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -145.29 -138.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.89 11.25 37.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -129.37 85.31 59.52 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.625 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 18.5 Cg_endo -74.96 -21.05 16.35 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.499 1.789 . . . . 0.0 111.009 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.656 ' C ' HD12 ' A' ' 92' ' ' LEU . 6.0 t80 -84.13 131.25 34.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.706 HD12 ' N ' ' A' ' 92' ' ' LEU . 1.0 OUTLIER -106.04 108.79 20.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.431 ' OD1' ' NE ' ' A' ' 56' ' ' ARG . 6.3 t0 -69.39 67.42 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -145.02 152.42 51.37 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.97 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -8.34 19.92 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.499 1.789 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.44 ' O ' ' CE1' ' A' ' 98' ' ' PHE . 4.7 m-20 -76.94 -55.8 5.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.07 129.19 37.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.118 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.44 ' CE1' ' O ' ' A' ' 96' ' ' ASP . 25.0 m-85 -115.9 137.5 52.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 111.037 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 79' ' ' SER . 32.8 m-85 -135.96 158.1 45.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -152.2 147.93 26.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.421 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 22.3 m-85 -66.96 150.26 97.99 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 73.73 4.23 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.477 1.777 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 p30 174.79 -42.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.14 170.64 7.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.006 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 138.38 -153.2 22.33 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 171.98 17.27 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.54 1.811 . . . . 0.0 111.053 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.61 122.38 27.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 109.964 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 97.6 p -161.74 157.01 23.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.975 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m -125.89 121.82 34.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.773 . . . . 0.0 110.002 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.43 115.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 109.979 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.02 -77.83 0.05 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 p -46.41 169.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 0.74 . . . . 0.0 110.012 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -41.06 -57.35 2.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.979 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.68 81.63 0.08 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.778 HD22 ' CD2' ' A' ' 66' ' ' LEU . 65.3 mt -123.56 -58.49 1.6 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 0.733 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -38.59 -71.0 0.26 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.55 1.156 . . . . 0.0 110.992 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.55 -45.46 9.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.641 ' CD2' HD11 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -59.05 -56.12 26.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.604 ' CG ' ' CD1' ' A' ' 71' ' ' TYR . 22.2 t80 -50.94 -43.5 60.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 13' ' ' LEU . 27.9 mt -54.69 -40.39 69.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.01 -51.01 64.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 101' ' ' PHE . 11.4 mtt -45.38 -25.04 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -67.78 -44.98 76.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.468 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.2 t70 -55.51 115.33 9.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -2.31 12.38 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.483 1.781 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -118.72 -54.25 2.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -93.59 13.56 21.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.468 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -138.63 -153.73 6.26 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.923 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -75.97 152.52 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 0.794 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.641 ' HB3' HD21 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -82.47 176.1 9.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.361 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.7 ' C ' HD22 ' A' ' 25' ' ' LEU . 34.5 mt-10 -142.03 100.0 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.738 HD22 ' N ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -121.03 149.64 42.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.334 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -77.89 144.95 36.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.254 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mt -136.53 117.4 14.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -104.78 147.72 27.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.323 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.2 tttm -110.28 -42.63 4.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -154.93 -48.2 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.451 ' O ' HG23 ' A' ' 33' ' ' VAL . 1.8 mttp -140.79 -47.41 0.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.123 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -50.75 115.57 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 31' ' ' LYS . 86.9 t -96.84 80.28 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.113 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -70.77 104.03 2.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -89.54 159.15 17.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.254 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 42.3 70.72 0.26 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.595 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.1 m -130.38 164.62 24.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 108.295 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.727 ' O ' HG23 ' A' ' 39' ' ' THR . 0.3 OUTLIER -122.98 -155.45 0.65 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.834 ' O ' HG13 ' A' ' 43' ' ' VAL . 1.9 p -160.82 136.76 8.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 110.399 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -54.53 -25.74 35.99 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.438 ' O ' ' NH2' ' A' ' 56' ' ' ARG . 7.4 t -84.69 -38.01 20.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.36 -41.35 25.95 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.923 ' HA ' HD11 ' A' ' 22' ' ' ILE . 17.4 m -55.53 -55.38 17.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 0.754 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.74 ' HA ' HD12 ' A' ' 47' ' ' LEU . 79.8 mt -54.92 -41.62 59.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -56.27 -36.95 69.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.516 ' CG ' HG13 ' A' ' 22' ' ' ILE . 83.1 t90 -70.75 -34.91 72.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 107.981 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.74 HD12 ' HA ' ' A' ' 44' ' ' ILE . 67.8 mt -61.26 -51.53 68.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 41.3 t -69.08 -46.06 78.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.56 1.163 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.82 -52.37 8.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.985 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.432 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 14.6 m-80 -77.0 -21.99 53.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 5.2 mmtt 83.44 53.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.498 HD12 HD23 ' A' ' 47' ' ' LEU . 11.5 mt -83.92 -29.27 27.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.49 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 2.4 m -127.35 -175.5 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -97.03 -28.09 14.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.478 ' N ' ' ND2' ' A' ' 55' ' ' ASN . 0.2 OUTLIER -147.65 169.57 19.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.256 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.463 ' HG3' ' CG2' ' A' ' 44' ' ' ILE . 5.5 ttt-85 -60.32 -43.94 95.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.408 ' O ' ' HB3' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -46.43 -61.83 1.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.364 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.49 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 1.9 mt-10 -44.38 -45.01 8.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -57.73 -44.05 94.27 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.408 ' HB3' ' O ' ' A' ' 57' ' ' GLN . 4.7 tp -53.81 -63.89 1.0 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 0.758 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.484 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 28.2 mtm -48.59 -54.02 16.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 65' ' ' SER . 8.4 mm -52.84 -57.45 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.584 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 3.4 m -37.59 -48.45 1.02 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 61' ' ' MET . . . -48.79 -50.39 34.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.2 OUTLIER -55.08 -40.16 70.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.032 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.778 ' CD2' HD22 ' A' ' 8' ' ' LEU . 1.2 mm? -65.13 -56.26 13.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.511 ' CD1' ' CE1' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -54.21 -58.03 8.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -42.76 -64.62 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.005 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 68' ' ' SER . 53.1 mm-40 -38.62 -36.86 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 112.14 16.89 8.67 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.604 ' CD1' ' CG ' ' A' ' 12' ' ' TYR . 34.6 m-85 -75.71 -24.66 56.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 0.785 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.486 ' O ' HD12 ' A' ' 67' ' ' LEU . 20.7 mt -130.84 114.82 15.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -91.53 137.8 25.64 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 148.53 35.49 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.472 1.775 . . . . 0.0 111.047 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.41 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -149.96 105.25 3.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 125.64 -122.97 4.74 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.488 1.118 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.525 ' HB3' HD12 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -131.7 -172.9 2.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 0.787 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.525 HD12 ' HB3' ' A' ' 77' ' ' ASP . 8.6 mp 64.45 -77.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.813 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 12.8 p -44.81 -67.26 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.437 ' C ' ' N ' ' A' ' 82' ' ' ALA . 2.6 ttpp -46.53 -65.7 0.52 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -40.25 -30.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.813 ' HB3' ' O ' ' A' ' 79' ' ' SER . . . -68.04 -63.79 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -45.14 -26.67 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 82' ' ' ALA . 1.2 t0 -58.35 -61.73 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 164.42 57.32 0.02 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.702 HG22 ' N ' ' A' ' 87' ' ' ALA . 3.3 mm -75.36 -78.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.702 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -132.5 -144.79 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.04 7.78 45.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -135.35 105.99 10.16 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.421 ' O ' ' CD1' ' A' ' 92' ' ' LEU . 18.3 Cg_endo -74.97 -24.6 12.72 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.779 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.671 ' C ' HD12 ' A' ' 92' ' ' LEU . 1.5 t80 -86.64 129.93 34.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.698 HD12 ' N ' ' A' ' 92' ' ' LEU . 1.1 mp -107.98 107.64 18.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.553 ' OD1' HD12 ' A' ' 44' ' ' ILE . 11.2 t0 -67.46 69.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -147.0 152.41 43.68 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.015 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.4 ' HA ' ' HB ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -74.96 -9.39 20.81 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.529 1.805 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.66 -47.71 25.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.83 115.54 5.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -102.92 140.55 37.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.511 ' CE1' ' CD1' ' A' ' 67' ' ' LEU . 58.0 m-85 -139.64 150.5 45.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.41 ' CE1' ' HB2' ' A' ' 75' ' ' ALA . 30.9 p90 -142.89 142.88 31.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.41 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 32.6 m-85 -64.72 147.86 97.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 76.55 3.38 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.518 1.799 . . . . 0.0 110.961 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 172.15 -34.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.3 m -119.48 158.21 26.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.992 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 147.68 -151.59 23.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 137.78 22.18 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.543 1.812 . . . . 0.0 111.024 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.1 m -140.61 116.52 10.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.03 -90.25 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 t -175.9 79.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 110.009 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.39 163.69 27.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.959 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 39.62 -141.66 0.63 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.527 1.142 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 75.83 -57.28 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 0.745 . . . . 0.0 109.978 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 39.94 77.47 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.981 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.73 -90.15 0.27 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.507 ' O ' ' C ' ' A' ' 9' ' ' GLY . 6.0 mp -40.26 -68.12 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 0.774 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.507 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -28.7 -69.45 0.07 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.48 1.113 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.22 -56.13 10.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 0.797 . . . . 0.0 109.335 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.01 ' CD1' HD21 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -51.06 -56.3 13.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.974 ' N ' HD13 ' A' ' 11' ' ' LEU . 37.8 t80 -50.85 -52.24 43.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.531 HD23 ' HE3' ' A' ' 16' ' ' LYS . 20.4 mt -43.09 -40.75 3.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.61 -50.07 66.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.053 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 8.3 mtp -48.94 -30.04 5.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 111.048 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.531 ' HE3' HD23 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -61.98 -40.5 95.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.505 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 2.5 t0 -56.5 112.99 5.13 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -0.7 10.27 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.528 1.804 . . . . 0.0 111.044 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -118.03 -54.68 2.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.6 mtmm -97.76 16.12 21.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.505 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -139.62 -154.92 6.45 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.827 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -69.97 158.21 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 0.761 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.695 ' HB3' HD21 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -94.43 144.2 25.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.621 ' C ' HD22 ' A' ' 25' ' ' LEU . 20.7 mt-10 -114.11 107.17 15.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.695 HD21 ' HB3' ' A' ' 23' ' ' LYS . 1.2 mm? -120.34 161.23 21.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.818 HD21 HG13 ' A' ' 33' ' ' VAL . 1.1 t30 -88.14 125.38 34.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.1 mt -120.09 143.58 48.07 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -139.61 151.41 45.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.284 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -122.18 -54.86 1.89 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.408 ' O ' ' HB2' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -150.7 95.8 2.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 30' ' ' ASP . 1.6 mttp 73.28 -55.08 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -46.16 160.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.818 HG13 HD21 ' A' ' 26' ' ' ASN . 38.4 t -148.97 89.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.701 ' CE1' ' HB1' ' A' ' 75' ' ' ALA . 48.5 m-85 -71.08 108.21 4.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.538 ' HB3' ' CD2' ' A' ' 36' ' ' HIS . 4.8 m-80 -82.68 149.64 27.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.538 ' CD2' ' HB3' ' A' ' 35' ' ' ASN . 3.2 m-70 39.92 55.59 2.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.61 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.674 ' O ' HD23 ' A' ' 38' ' ' LEU . 0.8 OUTLIER -106.61 170.38 7.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 108.33 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.799 HD11 ' CZ ' ' A' ' 101' ' ' PHE . 1.1 mt -131.69 -149.17 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 38' ' ' LEU . 2.7 p -159.94 127.99 4.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -37.91 -45.96 1.66 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 t -69.31 -59.07 3.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 0.0 110.015 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -48.06 -50.52 21.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.827 ' HA ' HD11 ' A' ' 22' ' ' ILE . 56.1 t -44.04 -45.48 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.489 0.758 . . . . 0.0 109.294 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.943 ' HA ' HD12 ' A' ' 47' ' ' LEU . 19.4 mt -73.46 -45.2 52.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -44.87 -45.86 10.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.516 ' CG ' HG13 ' A' ' 22' ' ' ILE . 86.6 t90 -60.57 -47.85 84.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 107.999 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 1.0 HD23 HD12 ' A' ' 52' ' ' LEU . 15.5 mt -51.99 -56.9 11.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.7 t -62.16 -47.36 93.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.86 -52.05 12.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.017 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.421 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 9.5 m-80 -81.18 -19.84 42.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 47' ' ' LEU . 4.1 mmtt 81.67 62.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 1.0 HD12 HD23 ' A' ' 47' ' ' LEU . 13.1 mt -95.47 -15.09 23.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.435 ' HB ' ' CB ' ' A' ' 58' ' ' GLU . 6.5 m -138.48 -175.01 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -82.3 -29.14 31.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.252 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -169.12 -178.02 3.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.687 ' HD2' HG21 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -55.72 -38.28 69.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 58' ' ' GLU . 1.5 tm0? -52.27 -71.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 110.327 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.435 ' CB ' ' HB ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -38.26 -51.54 1.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.552 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -50.77 -50.11 38.6 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.442 1.089 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.402 HD22 ' O ' ' A' ' 60' ' ' LEU . 1.6 tm? -47.52 -54.04 12.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 0.0 109.343 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 24.9 mtp -58.68 -52.92 63.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.2 mm -55.51 -49.7 71.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.561 ' HB3' ' CD2' ' A' ' 91' ' ' PHE . 5.1 m -41.27 -56.03 2.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.958 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.551 ' HB1' ' HD2' ' A' ' 90' ' ' PRO . . . -44.11 -46.49 8.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.0 -39.46 63.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.03 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 1.01 HD21 ' CD1' ' A' ' 11' ' ' LEU . 16.4 mt -67.62 -56.39 9.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.632 HD12 ' O ' ' A' ' 72' ' ' LEU . 15.9 tp -52.02 -56.72 12.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -38.63 -67.42 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 110.041 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -42.24 -36.37 1.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.332 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 111.49 28.86 3.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.56 1.163 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.687 ' C ' HD22 ' A' ' 72' ' ' LEU . 24.4 m-85 -83.82 -21.1 32.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.766 . . . . 0.0 111.003 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.687 HD22 ' C ' ' A' ' 71' ' ' TYR . 2.7 mm? -121.95 121.79 37.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.575 ' CB ' ' CZ ' ' A' ' 100' ' ' TYR . 24.0 mm-40 -96.63 132.64 25.86 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.99 134.29 17.66 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.528 1.804 . . . . 0.0 111.033 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.701 ' HB1' ' CE1' ' A' ' 34' ' ' PHE . . . -138.37 88.02 2.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 115.2 176.85 18.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 79' ' ' SER . 6.3 t0 -56.09 -176.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 0.798 . . . . 0.0 109.348 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.0 mp 64.13 -79.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.718 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 0.4 OUTLIER -48.03 -64.52 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.036 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.59 -64.05 0.57 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.451 ' O ' ' CB ' ' A' ' 84' ' ' ASP . 0.6 OUTLIER -51.68 -44.74 63.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.999 ' HB1' ' O ' ' A' ' 90' ' ' PRO . . . -42.95 -54.62 4.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.02 48.0 1.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.359 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.451 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 16.8 t70 -116.42 -65.1 1.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 170.89 38.76 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.438 1.086 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.743 HD12 ' HA ' ' A' ' 82' ' ' ALA . 11.9 mt -65.48 -78.06 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 0.758 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.522 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -136.77 -140.29 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.39 -17.01 25.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -107.78 103.13 48.35 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.999 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 18.2 Cg_endo -75.06 -27.9 9.53 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 63' ' ' SER . 1.8 t80 -79.26 140.25 37.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 94' ' ' SER . 44.5 mt -115.48 109.25 17.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.443 ' OD1' ' NE ' ' A' ' 56' ' ' ARG . 5.0 t70 -68.14 69.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -140.08 149.88 60.02 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.032 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -9.55 20.83 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.792 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.424 ' O ' ' CE1' ' A' ' 98' ' ' PHE . 0.8 OUTLIER -79.3 -66.31 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -42.34 119.94 1.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.424 ' CE1' ' O ' ' A' ' 96' ' ' ASP . 22.5 m-85 -107.52 144.95 33.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.439 ' CE1' HD13 ' A' ' 67' ' ' LEU . 26.5 m-85 -142.87 148.67 37.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.575 ' CZ ' ' CB ' ' A' ' 73' ' ' GLN . 35.1 p90 -138.01 144.33 41.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.799 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 14.2 m-85 -69.2 135.12 89.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 66.19 6.02 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.528 1.804 . . . . 0.0 111.03 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -179.86 -39.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.526 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 0.4 OUTLIER -102.65 -38.28 7.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.012 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -60.0 -165.91 0.21 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.561 ' HD2' ' CD1' ' A' ' 100' ' ' TYR . 18.2 Cg_endo -75.0 84.37 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.507 1.793 . . . . 0.0 110.98 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.5 p -85.4 135.68 33.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.997 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 78.7 p -55.21 124.71 17.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 109.994 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.936 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.1 p -94.64 86.94 4.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 110.032 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -113.95 170.59 8.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.97 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 39.68 61.43 1.59 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.543 1.152 . . . . 0.0 110.992 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -143.53 -62.9 0.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.739 . . . . 0.0 109.976 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 43.51 84.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.003 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.69 -86.88 0.34 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 9' ' ' GLY . 5.8 mp -43.81 -62.34 1.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 109.356 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -33.86 -72.94 0.09 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.01 -51.42 5.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 0.747 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.958 HD21 ' CD1' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -55.53 -56.34 21.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.494 ' CG ' ' CD1' ' A' ' 71' ' ' TYR . 34.3 t80 -52.14 -48.12 65.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.9 mt -48.45 -40.24 25.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.48 -48.96 63.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.4 mtt -48.27 -22.76 0.72 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.44 -42.7 74.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.47 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.7 t70 -56.32 114.77 8.31 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -1.13 10.84 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -119.27 -54.1 2.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.27 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -95.58 15.27 20.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.47 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -138.24 -155.52 6.82 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.913 HG21 HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -71.84 154.01 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.74 . . . . 0.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -91.43 158.25 16.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.557 ' C ' HD22 ' A' ' 25' ' ' LEU . 6.9 mt-10 -117.81 107.86 14.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.632 HD22 ' N ' ' A' ' 25' ' ' LEU . 1.7 mm? -114.28 170.1 8.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -110.79 121.34 45.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.84 HD12 ' SG ' ' A' ' 37' ' ' CYS . 0.6 OUTLIER -114.84 155.82 26.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -129.5 139.51 51.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -141.99 109.48 5.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 67.98 -72.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' LYS . 3.3 mttt -162.74 41.43 0.11 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -133.63 100.19 4.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.1 t -85.03 97.96 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -81.85 104.01 11.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -93.59 147.56 22.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.486 ' CE1' ' HA2' ' A' ' 109' ' ' GLY . 75.5 m-70 56.79 44.42 23.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.098 . . . . 0.0 109.566 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.84 ' SG ' HD12 ' A' ' 27' ' ' LEU . 29.7 p -117.32 169.71 9.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 108.323 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.913 HD22 HG21 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -115.39 -149.47 0.45 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.362 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.588 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.4 p -156.25 129.55 8.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.413 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -38.66 -56.18 2.07 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.544 1.153 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.449 ' O ' ' NH2' ' A' ' 56' ' ' ARG . 4.8 t -62.06 -61.22 2.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 0.784 . . . . 0.0 109.993 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -39.75 -46.93 3.07 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.792 ' HA ' HD11 ' A' ' 22' ' ' ILE . 75.4 t -50.49 -58.1 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.62 HG23 ' HA3' ' A' ' 59' ' ' GLY . 56.3 mt -63.88 -26.02 39.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.539 ' N ' HH21 ' A' ' 56' ' ' ARG . 0.9 OUTLIER -70.15 -47.23 62.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.505 ' CG ' HG13 ' A' ' 22' ' ' ILE . 80.8 t90 -59.86 -29.03 68.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 108.003 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.904 HD23 HD12 ' A' ' 52' ' ' LEU . 84.2 mt -68.5 -52.76 28.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 49.3 t -68.77 -37.32 77.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.35 -51.29 62.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.983 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.438 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 9.7 m-80 -80.86 -20.83 41.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 8.8 mmtt 84.33 58.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.904 HD12 HD23 ' A' ' 47' ' ' LEU . 12.2 mt -93.01 -22.03 19.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.422 ' HB ' ' CB ' ' A' ' 58' ' ' GLU . 34.1 m -131.79 -178.1 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -96.72 -29.44 13.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -152.98 155.31 36.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.539 HH21 ' N ' ' A' ' 45' ' ' ASP . 4.2 mtp180 -43.13 -43.13 4.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 110.346 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.1 tm0? -44.79 -63.19 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.422 ' CB ' ' HB ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -46.08 -49.81 15.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.259 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.62 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -54.48 -44.54 77.68 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.554 1.159 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.602 HD11 ' O ' ' A' ' 91' ' ' PHE . 14.3 tp -55.08 -63.68 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 31.6 mtm -45.87 -51.03 13.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 65' ' ' SER . 9.5 mm -57.22 -55.97 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.072 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 91' ' ' PHE . 58.4 m -38.44 -53.84 1.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.014 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.5 ' HB1' ' HD2' ' A' ' 90' ' ' PRO . . . -47.9 -47.68 31.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.2 OUTLIER -56.87 -36.93 70.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.958 ' CD1' HD21 ' A' ' 11' ' ' LEU . 17.7 mt -69.6 -58.03 4.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.542 1.152 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.675 HD12 ' O ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -50.06 -59.4 3.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.2 OUTLIER -39.5 -68.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.997 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -38.41 -32.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.334 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 107.38 26.13 5.79 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.534 1.147 . . . . 0.0 110.98 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.494 ' CD1' ' CG ' ' A' ' 12' ' ' TYR . 27.8 m-85 -85.01 -23.9 28.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 111.038 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.675 ' O ' HD12 ' A' ' 67' ' ' LEU . 10.7 mt -129.32 110.36 11.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.514 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . 30.0 mm-40 -73.53 130.6 83.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -74.99 129.12 12.06 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.538 1.81 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.704 ' HB2' ' HE2' ' A' ' 100' ' ' TYR . . . -133.55 163.34 29.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.35 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.47 -123.91 6.98 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -141.41 -56.17 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 0.768 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.475 ' CD1' ' HB3' ' A' ' 96' ' ' ASP . 3.4 mt -41.24 -78.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 109.292 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.664 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -38.07 -64.28 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 81' ' ' ASN . 0.4 OUTLIER -42.55 -63.37 0.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 80' ' ' LYS . 0.4 OUTLIER -38.61 -32.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 79' ' ' SER . . . -75.37 -59.95 2.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -44.56 -26.76 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.412 ' N ' ' C ' ' A' ' 82' ' ' ALA . 0.4 OUTLIER -56.34 -60.42 3.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 161.44 62.9 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.592 HG22 ' N ' ' A' ' 87' ' ' ALA . 3.7 mm -81.56 -75.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.592 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -142.04 -144.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.09 12.67 27.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -136.42 93.7 14.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.5 ' HD2' ' HB1' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -75.01 -23.99 13.23 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.479 1.778 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.602 ' O ' HD11 ' A' ' 60' ' ' LEU . 5.2 t80 -84.48 127.27 33.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.637 HD12 ' N ' ' A' ' 92' ' ' LEU . 2.5 mp -104.37 125.62 50.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 93' ' ' ASP . 21.5 t0 -69.87 59.16 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -148.1 142.17 16.24 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.983 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.613 ' O ' ' CE1' ' A' ' 98' ' ' PHE . 18.3 Cg_endo -74.97 1.24 7.94 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.519 1.8 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.608 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 3.4 m-20 -83.05 -54.93 4.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.529 ' HB1' ' HB2' ' A' ' 79' ' ' SER . . . -42.08 -32.32 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.613 ' CE1' ' O ' ' A' ' 95' ' ' PRO . 22.1 m-85 56.78 156.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.638 ' CE1' HD13 ' A' ' 67' ' ' LEU . 6.9 m-85 -169.0 131.76 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.704 ' HE2' ' HB2' ' A' ' 75' ' ' ALA . 36.7 p90 -135.37 149.83 49.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.78 ' CE1' HD11 ' A' ' 38' ' ' LEU . 14.6 m-85 -68.62 141.71 93.24 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 75.67 3.65 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.7 t70 178.65 -37.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.32 -84.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.98 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 39.06 -158.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 71.27 5.08 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.482 1.78 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 39.7 t -120.94 -49.67 2.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.976 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.0 m 169.91 -66.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.983 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.486 ' HA2' ' CE1' ' A' ' 36' ' ' HIS . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.4 p -66.33 95.09 0.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 0.761 . . . . 0.0 110.006 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.3 t -128.46 108.98 10.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.72 -147.47 14.74 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.144 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.06 129.6 9.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.988 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.13 -61.43 2.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.956 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.49 -63.76 3.23 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.541 ' HA ' HD23 ' A' ' 11' ' ' LEU . 38.8 mt -52.02 -58.57 6.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -36.87 -72.09 0.17 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.96 -43.94 6.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 0.768 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.772 ' CD2' HD21 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -60.39 -55.08 37.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.599 ' CD2' ' CD1' ' A' ' 71' ' ' TYR . 18.6 t80 -52.25 -45.36 65.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.8 mt -52.69 -38.19 60.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.32 -43.88 69.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.016 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 10.6 mtt -53.27 -19.21 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.962 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -72.48 -39.46 67.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.491 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 2.4 t70 -58.38 112.42 4.89 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.01 9.42 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.542 1.812 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -118.84 -54.59 2.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.44 17.51 18.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -138.0 -155.9 6.98 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.411 1.069 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.829 HG21 HD13 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -75.19 142.76 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 109.332 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.488 ' HD3' ' N ' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -93.65 138.8 31.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.171 . . . . 0.0 109.327 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.545 ' HA ' HD23 ' A' ' 38' ' ' LEU . 1.3 pt-20 -109.79 96.62 6.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.335 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.21 155.14 19.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -86.72 130.39 34.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.823 HD12 ' SG ' ' A' ' 37' ' ' CYS . 6.6 mt -125.87 133.81 51.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.481 ' HB2' HG22 ' A' ' 33' ' ' VAL . 20.0 tt0 -111.71 94.32 4.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 31' ' ' LYS . 16.0 tttp -81.35 99.72 8.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.83 -78.71 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 29' ' ' LYS . 28.6 mmtp -140.64 24.84 2.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.91 94.23 4.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.481 HG22 ' HB2' ' A' ' 28' ' ' GLU . 54.9 t -83.49 85.25 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -76.35 104.11 6.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -87.27 131.98 34.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 74.15 44.89 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.63 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.823 ' SG ' HD12 ' A' ' 27' ' ' LEU . 20.1 p -112.21 160.11 17.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 108.313 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.829 HD13 HG21 ' A' ' 22' ' ' ILE . 8.1 mt -117.82 -145.2 0.38 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.934 ' O ' HG23 ' A' ' 43' ' ' VAL . 2.3 p -159.62 133.97 7.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -46.08 -50.88 11.87 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.464 1.102 . . . . 0.0 111.051 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.421 ' OG ' ' N ' ' A' ' 42' ' ' GLY . 0.8 OUTLIER -64.56 -60.57 2.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 109.998 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.421 ' N ' ' OG ' ' A' ' 41' ' ' SER . . . -47.65 -37.74 14.17 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 111.039 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.934 HG23 ' O ' ' A' ' 39' ' ' THR . 71.0 t -59.12 -45.11 92.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 109.245 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.689 ' HA ' HD12 ' A' ' 47' ' ' LEU . 49.7 mt -76.3 -26.31 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -65.11 -44.24 89.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.528 ' CG ' HG13 ' A' ' 22' ' ' ILE . 78.7 t90 -62.8 -33.15 74.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 107.985 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.908 HD23 HD12 ' A' ' 52' ' ' LEU . 44.2 mt -63.73 -53.32 52.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 40.5 t -68.56 -44.66 82.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 44.2 p -44.93 -54.22 6.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.426 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 9.4 m-80 -78.81 -20.99 48.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 3.9 mmtt 82.69 60.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.908 HD12 HD23 ' A' ' 47' ' ' LEU . 12.9 mt -92.56 -20.86 20.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.427 ' HB ' ' CB ' ' A' ' 58' ' ' GLU . 29.4 m -130.28 -174.1 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.4 mtt180 -93.24 -24.51 18.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.36 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.436 ' OD1' ' CB ' ' A' ' 57' ' ' GLN . 1.1 p30 -165.05 178.77 6.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -38.53 81.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.436 ' CB ' ' OD1' ' A' ' 55' ' ' ASN . 5.3 tm0? -49.67 -66.61 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.427 ' CB ' ' HB ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -41.8 -50.82 4.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.272 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.416 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -54.98 -51.46 53.51 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.429 HD23 ' HB2' ' A' ' 93' ' ' ASP . 0.5 OUTLIER -45.3 -46.23 12.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.776 . . . . 0.0 109.308 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 18.1 mtm -69.0 -58.14 4.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 65' ' ' SER . 4.8 mm -49.92 -52.51 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.552 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 3.9 m -40.11 -49.41 2.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.035 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -53.94 -46.27 71.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -57.09 -35.86 69.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.97 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.772 HD21 ' CD2' ' A' ' 11' ' ' LEU . 29.1 mt -68.01 -56.52 8.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.609 HD12 ' O ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -55.06 -59.25 5.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -38.69 -65.48 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.927 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -40.29 -37.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 113.52 18.02 7.28 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.599 ' CD1' ' CD2' ' A' ' 12' ' ' TYR . 31.1 m-85 -78.14 -15.88 58.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.766 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.609 ' O ' HD12 ' A' ' 67' ' ' LEU . 16.1 mt -139.69 119.49 13.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -91.33 143.44 28.26 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.62 36.88 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.522 1.801 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -150.38 114.07 4.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 128.19 -117.55 2.59 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -140.78 -60.32 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 109.321 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.8 mp -41.42 -73.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.589 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 2.6 p -42.16 -51.98 4.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.024 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -51.11 -64.54 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.413 ' O ' ' CB ' ' A' ' 84' ' ' ASP . 0.3 OUTLIER -44.79 -44.44 9.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.838 ' HA ' HD12 ' A' ' 86' ' ' ILE . . . -51.98 -63.54 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -42.9 -40.63 3.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.413 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 6.8 t0 -48.52 -44.77 36.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.466 ' O ' ' HB ' ' A' ' 86' ' ' ILE . . . 164.34 -86.03 0.1 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.838 HD12 ' HA ' ' A' ' 82' ' ' ALA . 9.7 mt 70.37 -53.1 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.774 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -166.51 -132.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.54 15.38 20.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -137.46 107.04 8.49 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.709 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 18.5 Cg_endo -74.89 -44.45 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.468 1.773 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.552 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 2.5 t80 -66.56 145.01 56.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 94' ' ' SER . 51.6 mt -125.42 112.02 15.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.429 ' HB2' HD23 ' A' ' 60' ' ' LEU . 9.4 t70 -67.86 70.22 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -145.89 147.39 32.19 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.972 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -10.21 21.04 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.468 1.773 . . . . 0.0 110.978 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.479 ' O ' ' CZ ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -74.24 -45.79 45.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.31 130.28 42.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.479 ' CZ ' ' O ' ' A' ' 96' ' ' ASP . 12.9 m-85 -118.11 137.48 52.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.077 . . . . 0.0 111.032 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.501 ' CE1' HD13 ' A' ' 67' ' ' LEU . 51.6 m-85 -134.71 150.71 50.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.494 ' CD2' ' HA3' ' A' ' 105' ' ' GLY . 31.1 p90 -140.81 152.71 45.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.524 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 32.2 m-85 -71.65 146.11 90.69 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 75.95 3.55 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.539 1.81 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 177.38 -39.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 105' ' ' GLY . 0.6 OUTLIER -95.86 -76.77 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.025 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.494 ' HA3' ' CD2' ' A' ' 100' ' ' TYR . . . 37.71 -155.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.463 1.102 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -37.2 2.12 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.522 1.801 . . . . 0.0 110.981 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 7.8 m -63.54 90.75 0.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.977 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.92 -61.93 1.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.014 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.101 . . . . 0.0 110.995 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t -83.81 118.73 24.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.76 . . . . 0.0 110.005 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 m -142.46 148.86 38.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.05 -111.6 0.47 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.18 123.12 49.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.76 . . . . 0.0 110.014 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -42.51 156.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.987 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.83 -60.05 4.67 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.458 ' O ' ' C ' ' A' ' 9' ' ' GLY . 46.9 mt -57.01 -61.26 2.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 0.725 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -33.09 -72.6 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.451 1.094 . . . . 0.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.08 -43.49 14.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.884 HD13 ' N ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -60.62 -54.34 46.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.266 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.884 ' N ' HD13 ' A' ' 11' ' ' LEU . 20.4 t80 -52.97 -45.72 67.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.4 mt -50.17 -42.45 51.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -62.27 -57.35 11.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 109.969 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.961 ' SD ' HD12 ' A' ' 22' ' ' ILE . 3.9 mmt -37.55 -40.92 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -52.65 -50.1 63.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.511 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.6 t70 -49.94 119.3 9.93 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -5.8 17.25 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.503 1.791 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -115.94 -53.78 2.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 mttp -93.1 12.72 23.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.511 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -140.43 -155.09 6.42 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.129 . . . . 0.0 111.024 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.961 HD12 ' SD ' ' A' ' 15' ' ' MET . 0.1 OUTLIER -72.34 159.2 5.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 0.766 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.58 -175.99 6.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.641 ' C ' HD22 ' A' ' 25' ' ' LEU . 32.3 mt-10 -149.53 104.0 3.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.642 HD22 ' N ' ' A' ' 25' ' ' LEU . 1.4 mm? -113.42 165.59 12.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.463 ' ND2' ' H ' ' A' ' 26' ' ' ASN . 1.7 p30 -96.23 91.42 5.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.709 HD12 ' HB3' ' A' ' 37' ' ' CYS . 15.7 mt -79.62 106.57 11.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.468 ' CG ' ' HB ' ' A' ' 33' ' ' VAL . 54.3 tt0 -115.86 106.77 14.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.519 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 14.3 tttp -156.66 132.16 9.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.519 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 3.5 t0 82.94 29.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.13 58.92 1.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.278 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 28' ' ' GLU . 0.7 OUTLIER -176.61 122.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.468 ' HB ' ' CG ' ' A' ' 28' ' ' GLU . 2.0 p -111.01 112.63 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.571 ' CE1' ' HB1' ' A' ' 75' ' ' ALA . 19.8 m-85 -91.76 102.18 14.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -75.03 127.02 32.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 76.48 37.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.621 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 1.023 ' O ' HD23 ' A' ' 38' ' ' LEU . 0.8 OUTLIER -102.46 172.26 6.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 108.298 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.023 HD23 ' O ' ' A' ' 37' ' ' CYS . 1.0 OUTLIER -139.37 -154.19 0.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.894 ' O ' HG13 ' A' ' 43' ' ' VAL . 13.2 p -158.23 139.41 13.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.415 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.78 -29.0 32.5 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.8 t -80.63 -43.8 19.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 110.0 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.38 -50.62 20.49 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.894 HG13 ' O ' ' A' ' 39' ' ' THR . 15.1 m -43.24 -55.2 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 0.785 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.568 ' N ' HG23 ' A' ' 43' ' ' VAL . 72.9 mt -57.31 -45.3 85.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -47.15 -40.93 16.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.605 ' CE3' ' SD ' ' A' ' 15' ' ' MET . 79.6 t90 -70.41 -35.88 73.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 108.03 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' A' ' 44' ' ' ILE . 96.2 mt -61.78 -49.84 74.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 51' ' ' LYS . 58.3 t -71.15 -46.2 67.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.19 -49.64 6.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.034 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.466 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 15.2 m-80 -78.49 -24.27 45.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.466 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 8.3 mmtt 86.27 44.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 52' ' ' LEU . 10.2 mt -73.39 -33.52 65.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.4 m -117.93 -172.55 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -100.93 -26.68 13.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.286 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -147.96 172.81 13.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.565 ' HD2' HG22 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -64.15 -42.82 96.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 60' ' ' LEU . 4.3 tt0 -51.17 -64.82 0.69 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 57' ' ' GLN . 1.1 tt0 -38.69 -50.14 1.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -54.31 -43.08 75.45 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 57' ' ' GLN . 1.2 tm? -53.39 -51.02 63.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 42.6 mtm -60.86 -57.4 12.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.152 . . . . 0.0 111.032 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 50.0 mm -47.59 -49.77 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.577 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 3.1 m -43.52 -54.33 4.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.007 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.89 -45.08 15.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.91 -35.95 73.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.965 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.715 HD21 ' CD1' ' A' ' 11' ' ' LEU . 41.9 mt -70.22 -58.08 4.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.627 HD12 ' O ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -52.99 -58.46 6.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 t -41.11 -64.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.97 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -40.65 -37.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.332 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 112.63 26.5 4.17 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.432 1.082 . . . . 0.0 110.964 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.567 ' CD1' ' CD2' ' A' ' 12' ' ' TYR . 33.4 m-85 -87.87 -15.03 37.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.627 ' O ' HD12 ' A' ' 67' ' ' LEU . 17.0 mt -138.78 118.83 13.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.409 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 30.7 mm-40 -92.01 141.89 25.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.331 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.98 146.31 32.56 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.801 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.571 ' HB1' ' CE1' ' A' ' 34' ' ' PHE . . . -130.29 100.07 5.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 125.53 -163.27 19.56 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.536 1.148 . . . . 0.0 110.994 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.51 -34.54 10.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 0.784 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.37 -61.9 2.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.0 p -55.47 -19.47 9.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.956 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.0 -63.77 1.34 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -41.31 -49.42 3.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 109.258 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.65 ' HB2' HD11 ' A' ' 92' ' ' LEU . . . -52.63 -55.35 23.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.09 49.08 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -134.69 -59.85 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -177.39 34.65 0.08 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.529 1.143 . . . . 0.0 110.99 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.439 HD13 ' HA ' ' A' ' 86' ' ' ILE . 3.2 mm -68.83 -64.17 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.494 0.761 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.434 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -156.22 -142.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.13 -13.97 26.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.276 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -108.52 101.24 42.14 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -20.66 16.62 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.511 1.796 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 1.3 t80 -88.88 142.01 28.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.65 HD11 ' HB2' ' A' ' 82' ' ' ALA . 67.7 mt -120.14 109.03 14.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.42 ' OD1' ' NH1' ' A' ' 56' ' ' ARG . 14.7 t0 -68.69 67.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -141.12 149.05 54.19 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.038 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -9.98 21.08 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.494 1.786 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.572 ' O ' ' CE2' ' A' ' 98' ' ' PHE . 2.5 m-20 -76.71 -48.82 17.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.403 ' O ' ' HA ' ' A' ' 39' ' ' THR . . . -61.53 132.54 53.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.583 ' HD1' HD13 ' A' ' 27' ' ' LEU . 27.4 m-85 -118.38 143.72 46.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.538 ' CE1' HD13 ' A' ' 67' ' ' LEU . 36.8 m-85 -140.8 148.58 40.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -141.8 145.29 34.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 111.045 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.548 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 18.2 m-85 -65.27 143.05 98.69 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 101' ' ' PHE . 18.3 Cg_endo -75.02 76.84 3.29 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.452 1.764 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.9 t70 176.24 -38.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.34 -82.88 0.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.984 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 46.68 -160.9 0.24 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.46 ' O ' ' CB ' ' A' ' 107' ' ' SER . 18.4 Cg_endo -75.04 162.03 37.69 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.521 1.801 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 106' ' ' PRO . 0.3 OUTLIER 82.24 143.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 49.1 p -114.84 -59.69 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.001 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.115 . . . . 0.0 111.014 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.8 p -41.92 -50.8 4.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 110.025 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.29 174.12 10.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.092 . . . . 0.0 110.048 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.19 101.53 0.33 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.56 1.162 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.1 m -164.28 -55.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 0.743 . . . . 0.0 109.986 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.69 78.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.992 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.95 -64.07 0.58 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.459 ' HA ' HD23 ' A' ' 11' ' ' LEU . 66.5 mt -59.86 -58.66 7.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 0.746 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -36.73 -72.26 0.16 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.24 -46.69 6.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 0.782 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.734 HD21 HD11 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -58.34 -55.51 34.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.583 ' CD2' ' CD1' ' A' ' 71' ' ' TYR . 21.4 t80 -52.72 -45.84 67.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.515 HD23 ' HE3' ' A' ' 16' ' ' LYS . 45.5 mt -52.47 -35.32 52.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.46 -47.98 62.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.995 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.5 mtt -50.63 -20.55 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.515 ' HE3' HD23 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -73.54 -34.76 65.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.425 ' HB3' ' N ' ' A' ' 21' ' ' GLY . 1.6 t70 -61.74 117.96 33.53 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -2.27 12.31 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -121.23 -53.09 2.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 110.309 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.17 22.66 8.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.425 ' N ' ' HB3' ' A' ' 17' ' ' ASP . . . -141.52 -156.27 6.75 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.564 1.165 . . . . 0.0 111.052 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.802 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -69.06 159.14 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.455 0.738 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.471 ' HB3' HD21 ' A' ' 25' ' ' LEU . 1.3 mmtt -82.43 -176.34 6.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.536 ' O ' HD13 ' A' ' 25' ' ' LEU . 31.9 mt-10 -152.45 102.81 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.675 HD22 ' N ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -122.75 161.85 23.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.448 ' OD1' ' ND2' ' A' ' 35' ' ' ASN . 2.5 m-80 -97.83 118.32 34.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.562 HD13 ' CE1' ' A' ' 98' ' ' PHE . 3.9 mt -109.72 118.85 37.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -104.59 100.09 9.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.326 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -97.75 -91.15 0.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.426 ' C ' ' N ' ' A' ' 32' ' ' LYS . 1.0 OUTLIER -91.86 81.96 5.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER 40.01 30.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 109.329 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.426 ' N ' ' C ' ' A' ' 30' ' ' ASP . 5.6 mtpt -118.8 110.08 16.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 33' ' ' VAL . 79.6 t -87.91 77.41 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.402 ' CZ ' ' HB3' ' A' ' 32' ' ' LYS . 70.0 m-85 -71.19 101.54 2.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.448 ' ND2' ' OD1' ' A' ' 26' ' ' ASN . 8.5 m120 -89.97 157.89 17.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 41.77 50.78 4.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.593 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 99.3 m -123.11 161.14 24.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 108.281 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.724 HD22 ' CG2' ' A' ' 22' ' ' ILE . 0.4 OUTLIER -119.41 -151.56 0.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.526 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.4 t -172.42 148.47 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.532 ' HA2' ' CE1' ' A' ' 91' ' ' PHE . . . -36.6 -54.56 1.36 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 42' ' ' GLY . 3.3 t -59.8 -74.64 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 0.783 . . . . 0.0 109.993 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 41' ' ' SER . . . -35.97 -46.37 0.92 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.105 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.802 ' HA ' HD11 ' A' ' 22' ' ' ILE . 55.7 t -54.69 -64.29 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.91 ' HA ' HD12 ' A' ' 47' ' ' LEU . 48.3 mt -58.06 -38.15 65.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.452 ' O ' ' CB ' ' A' ' 49' ' ' SER . 8.5 t0 -52.79 -41.37 64.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.535 ' CG ' HG13 ' A' ' 22' ' ' ILE . 80.5 t90 -65.36 -39.36 92.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 108.017 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.939 HD23 HD12 ' A' ' 52' ' ' LEU . 23.0 mt -60.73 -59.7 4.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.405 ' O ' ' CE ' ' A' ' 51' ' ' LYS . 73.7 t -62.42 -42.41 95.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 45' ' ' ASP . 3.2 m -48.5 -54.35 14.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -82.43 -16.05 50.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' LEU . 3.1 mmtp 78.84 63.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.939 HD12 HD23 ' A' ' 47' ' ' LEU . 14.2 mt -92.88 -11.26 33.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.415 ' HB ' ' CB ' ' A' ' 58' ' ' GLU . 6.0 m -138.52 -173.27 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -92.43 -24.27 18.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -163.57 172.83 13.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.458 ' HG3' HG21 ' A' ' 44' ' ' ILE . 1.3 tpt180 -54.92 -42.64 72.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.268 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 60' ' ' LEU . 5.8 tm0? -48.89 -65.72 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.415 ' CB ' ' HB ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -40.23 -49.69 2.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.092 . . . . 0.0 110.276 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -55.7 -43.56 86.48 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.5 OUTLIER -52.84 -51.71 59.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 109.302 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.9 mtm -62.75 -52.79 61.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 65' ' ' SER . 7.5 mm -55.31 -52.11 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.561 ' HB3' ' CD2' ' A' ' 91' ' ' PHE . 12.6 m -40.05 -49.1 2.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 110.011 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.24 -48.43 62.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -52.46 -38.9 60.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.048 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.734 HD11 HD21 ' A' ' 11' ' ' LEU . 27.9 mt -69.69 -54.87 11.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.629 HD22 ' O ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -54.19 -59.57 4.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.52 ' N ' HD13 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -39.26 -67.32 0.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 68' ' ' SER . 35.0 mm-40 -38.07 -32.95 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 108.95 2.04 31.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.137 . . . . 0.0 110.95 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.583 ' CD1' ' CD2' ' A' ' 12' ' ' TYR . 27.5 m-85 -58.01 -15.66 9.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 0.788 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.9 mt -134.61 131.43 37.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -102.33 131.85 22.08 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.234 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 144.86 30.72 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.447 1.761 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -132.58 128.8 37.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 114.01 -99.38 0.96 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.432 1.083 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -171.8 -46.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.759 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 81' ' ' ASN . 0.4 OUTLIER -44.84 -87.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.611 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 0.7 OUTLIER -39.36 -31.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.96 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.416 ' N ' ' C ' ' A' ' 78' ' ' LEU . 0.1 OUTLIER -63.48 -54.46 36.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 78' ' ' LEU . 32.8 m-20 -50.39 -23.67 2.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 79' ' ' SER . . . -73.68 -50.92 18.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.6 27.48 2.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -99.4 -20.08 16.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 86' ' ' ILE . . . 152.93 -20.28 0.76 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.483 HD13 ' HA ' ' A' ' 86' ' ' ILE . 3.5 mm -39.38 -58.55 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 0.787 . . . . 0.0 109.261 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 86' ' ' ILE . . . 70.49 -179.06 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.519 ' O ' ' CB ' ' A' ' 89' ' ' ASN . 0.1 OUTLIER 78.37 -8.28 1.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 88' ' ' GLU . 0.8 OUTLIER 154.0 87.45 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.529 ' HA ' ' HB1' ' A' ' 82' ' ' ALA . 18.4 Cg_endo -75.02 -16.75 20.0 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.56 1.821 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.575 ' C ' HD12 ' A' ' 92' ' ' LEU . 4.5 t80 -99.46 127.65 45.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.686 HD12 ' N ' ' A' ' 92' ' ' LEU . 1.3 mp -102.78 116.32 32.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -74.9 59.51 0.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.61 155.0 78.58 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.966 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 0.42 8.91 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.482 1.78 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -87.59 -64.32 1.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -45.63 103.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.562 ' CE1' HD13 ' A' ' 27' ' ' LEU . 24.1 m-85 -101.2 127.53 47.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 79' ' ' SER . 34.1 m-85 -123.28 155.95 36.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -143.92 145.05 32.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.612 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 23.6 m-85 -62.71 148.99 90.27 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 2.19 6.88 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -126.15 26.36 6.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 101' ' ' PHE . 0.3 OUTLIER -177.98 155.97 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.02 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 157.11 -150.77 22.02 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -52.7 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.495 1.787 . . . . 0.0 111.033 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.2 p 67.29 116.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.011 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.68 -83.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.962 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.55 -56.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 0.76 . . . . 0.0 109.972 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.08 167.99 2.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.005 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.419 ' O ' ' CB ' ' A' ' 5' ' ' SER . . . -70.53 123.59 11.81 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 0.1 OUTLIER 165.89 -43.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 0.733 . . . . 0.0 109.957 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 52.02 67.91 0.89 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.022 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.06 -70.33 0.38 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.56 1.162 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.433 HD22 ' CD2' ' A' ' 66' ' ' LEU . 26.4 mt -53.94 -48.36 70.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 0.753 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.484 ' O ' ' CD1' ' A' ' 13' ' ' LEU . . . -35.58 -78.6 0.04 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -41.25 -45.23 2.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 0.751 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.856 ' O ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -57.44 -52.82 63.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.771 ' N ' HD13 ' A' ' 11' ' ' LEU . 25.9 t80 -55.64 -46.53 77.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.484 ' CD1' ' O ' ' A' ' 9' ' ' GLY . 8.0 mp -48.04 -39.07 18.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.17 -53.38 38.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.023 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.511 ' HG2' ' CZ3' ' A' ' 46' ' ' TRP . 14.5 mtp -44.47 -25.35 0.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 110.958 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.76 -47.69 71.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.512 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 2.3 t0 -50.76 115.8 6.24 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -2.37 12.45 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.48 1.779 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -117.37 -54.75 2.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.283 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -94.33 12.41 27.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.512 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -140.36 -155.73 6.64 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.75 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -68.68 157.43 6.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 0.775 . . . . 0.0 109.26 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.41 ' O ' HG23 ' A' ' 22' ' ' ILE . 1.7 mttt -86.98 179.04 6.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -146.67 103.79 3.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.325 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.22 164.56 15.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -101.27 116.72 33.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.4 mt -112.93 177.83 4.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.11 173.07 12.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.9 tptt -144.61 -67.16 0.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.37 -62.26 1.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.6 pttm -166.93 44.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.36 101.61 4.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.5 t -65.26 87.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -70.51 104.12 2.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -87.52 158.05 19.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 42.73 74.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.617 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.499 ' C ' HD23 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -139.19 168.78 19.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 108.296 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.757 ' O ' HG23 ' A' ' 39' ' ' THR . 2.2 mt -123.21 -153.6 0.56 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.757 HG23 ' O ' ' A' ' 38' ' ' LEU . 1.6 p -161.66 135.23 6.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 110.46 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -37.23 -48.03 1.5 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.41 -46.89 59.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 0.752 . . . . 0.0 110.003 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.54 -52.38 50.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.75 ' HA ' HD11 ' A' ' 22' ' ' ILE . 76.5 t -43.22 -52.79 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.536 0.786 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.954 ' HA ' HD12 ' A' ' 47' ' ' LEU . 22.9 mt -67.24 -45.6 85.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 49' ' ' SER . 27.3 t0 -40.72 -47.11 2.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.69 ' CZ3' ' CD1' ' A' ' 52' ' ' LEU . 61.6 t90 -60.57 -58.37 8.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.117 . . . . 0.0 108.015 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.954 HD12 ' HA ' ' A' ' 44' ' ' ILE . 4.2 mt -46.18 -44.44 16.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.607 HG21 ' HG2' ' A' ' 56' ' ' ARG . 13.3 t -72.76 -30.76 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 46' ' ' TRP . 0.3 OUTLIER -70.63 -46.75 62.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.005 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.623 ' ND2' ' CD2' ' A' ' 46' ' ' TRP . 6.9 p30 -82.13 -21.77 36.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' LEU . 7.5 mmtt 81.82 36.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.69 ' CD1' ' CZ3' ' A' ' 46' ' ' TRP . 9.3 mt -69.12 -20.03 64.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.43 ' HB ' ' CB ' ' A' ' 58' ' ' GLU . 18.1 m -130.07 -172.68 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.9 mmt-85 -97.38 -26.99 14.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -164.97 159.92 18.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.24 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.607 ' HG2' HG21 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -40.94 -46.39 2.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.1 tm0? -43.92 -63.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.43 ' CB ' ' HB ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -46.28 -49.0 17.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -55.37 -42.31 82.67 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.406 HD23 ' HB2' ' A' ' 93' ' ' ASP . 0.6 OUTLIER -52.95 -50.79 63.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 24.8 mtm -65.2 -51.95 57.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 111.043 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.6 mm -55.33 -43.57 71.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.572 ' HB3' ' CD2' ' A' ' 91' ' ' PHE . 3.7 m -50.05 -51.13 44.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.973 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.97 -46.04 78.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.32 -35.19 67.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.997 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.789 HD21 ' CD1' ' A' ' 11' ' ' LEU . 42.8 mt -72.74 -57.11 4.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.568 HD12 ' O ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -52.63 -55.81 19.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t -39.89 -66.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 109.975 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -41.37 -33.02 0.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 0.0 110.253 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 109.73 21.64 7.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -79.64 -17.59 53.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.568 ' O ' HD12 ' A' ' 67' ' ' LEU . 22.8 mt -132.7 118.83 19.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.519 ' HB2' ' CE2' ' A' ' 100' ' ' TYR . 33.6 mm-40 -92.35 139.82 24.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.36 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -74.97 143.23 28.91 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.448 1.762 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -131.82 105.0 7.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 123.9 -149.69 16.92 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.21 -45.56 3.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.778 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.7 tt -47.3 -71.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.542 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 78.5 p -45.08 -50.42 11.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.031 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -44.43 -59.54 2.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -53.15 -45.1 68.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.682 ' HB1' ' O ' ' A' ' 90' ' ' PRO . . . -49.96 -55.66 13.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.06 54.94 2.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -135.48 -58.9 0.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 176.18 38.23 0.05 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.453 1.096 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.478 HG22 ' N ' ' A' ' 87' ' ' ALA . 4.5 mm -68.05 -68.72 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 0.778 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.478 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -147.25 -145.03 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.301 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.09 9.39 36.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -135.34 110.74 10.65 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.682 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 18.5 Cg_endo -74.96 -31.71 6.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.455 1.766 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 63' ' ' SER . 6.9 t80 -81.8 146.0 30.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.439 ' CD1' ' HB2' ' A' ' 82' ' ' ALA . 60.1 mt -124.61 111.36 15.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.423 ' OD1' ' NH2' ' A' ' 56' ' ' ARG . 24.2 t0 -68.18 70.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -139.19 147.77 54.57 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.014 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -7.13 18.91 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.442 1.759 . . . . 0.0 111.046 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.579 ' O ' ' CE2' ' A' ' 98' ' ' PHE . 5.8 m-20 -82.49 -59.83 2.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -48.49 129.35 16.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.579 ' CE2' ' O ' ' A' ' 96' ' ' ASP . 20.4 m-85 -116.18 146.81 42.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.508 ' CE1' ' HB2' ' A' ' 79' ' ' SER . 62.5 m-85 -148.26 159.92 43.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.519 ' CE2' ' HB2' ' A' ' 73' ' ' GLN . 39.0 p90 -147.99 171.38 15.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 111.051 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.416 ' CE1' HD11 ' A' ' 38' ' ' LEU . 14.0 m-85 -89.92 142.57 29.05 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 71.31 5.08 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.488 1.783 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -177.57 -39.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.18 -74.49 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.968 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 42.8 -160.83 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.116 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 150.33 38.16 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.79 145.7 28.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.026 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.6 102.52 11.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.031 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.963 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -84.51 101.8 12.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.751 . . . . 0.0 110.025 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.9 m -70.58 152.74 43.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.016 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.77 155.53 26.58 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.625 ' HB3' HD12 ' A' ' 8' ' ' LEU . 47.1 t -107.74 29.12 7.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 0.797 . . . . 0.0 109.985 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.19 82.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.99 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.55 -56.34 0.5 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.625 HD12 ' HB3' ' A' ' 5' ' ' SER . 32.8 mt -59.68 -61.36 2.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -34.46 -69.48 0.19 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.36 -41.74 39.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 0.793 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.968 HD13 ' N ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -61.52 -50.03 74.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.968 ' N ' HD13 ' A' ' 11' ' ' LEU . 22.3 t80 -58.12 -48.76 79.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 32.4 mt -45.99 -43.34 14.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -62.26 -59.7 4.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.043 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 8.4 mtt -40.33 -40.1 1.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -45.47 73.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 14' ' ' SER . 0.4 OUTLIER -52.57 119.11 14.56 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.254 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -3.02 13.31 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -121.82 -52.94 1.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -93.27 16.4 13.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.434 ' N ' ' HB3' ' A' ' 17' ' ' ASP . . . -137.35 -152.76 6.2 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.514 1.133 . . . . 0.0 111.027 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.812 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -74.07 157.33 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -74.96 -178.53 3.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -150.55 98.27 2.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.78 165.05 17.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -89.57 131.07 35.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.0 mt -137.65 101.81 4.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.61 155.9 16.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -108.22 -24.96 11.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.5 t0 177.83 83.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.6 mttp 81.66 -52.12 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.5 mttp -61.82 97.13 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.6 t -84.21 127.58 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.541 ' CE1' ' HB1' ' A' ' 75' ' ' ALA . 30.2 m-85 -107.73 101.75 11.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 36' ' ' HIS . 1.6 m-20 -79.38 164.19 24.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 35' ' ' ASN . 80.6 m-70 39.36 64.65 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.605 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.733 ' C ' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -126.0 169.96 12.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.108 . . . . 0.0 108.273 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.755 ' O ' HG23 ' A' ' 39' ' ' THR . 0.8 OUTLIER -127.77 -154.49 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.755 HG23 ' O ' ' A' ' 38' ' ' LEU . 1.4 p -161.63 125.28 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.412 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -46.7 -25.7 2.35 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 t -84.08 -44.37 14.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 0.764 . . . . 0.0 110.008 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.98 -46.46 36.53 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.812 ' HA ' HD11 ' A' ' 22' ' ' ILE . 13.4 m -45.87 -55.32 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.773 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.613 HG22 ' HG2' ' A' ' 56' ' ' ARG . 75.7 mt -55.47 -37.35 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -60.49 -36.23 77.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.535 ' CG ' HG13 ' A' ' 22' ' ' ILE . 83.3 t90 -72.87 -28.61 62.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 107.973 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.479 HD23 HD12 ' A' ' 52' ' ' LEU . 91.9 mt -68.64 -49.05 62.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.0 t -72.46 -37.51 57.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.85 -50.03 61.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.413 ' C ' ' CD ' ' A' ' 51' ' ' LYS . 15.1 m-80 -82.25 -14.36 55.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.413 ' CD ' ' C ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER 76.21 57.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.602 ' CD1' HD23 ' A' ' 11' ' ' LEU . 11.8 mt -88.96 -20.27 24.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 2.4 m -134.39 -173.81 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.5 mtt85 -98.0 -26.93 14.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -149.91 167.49 26.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.613 ' HG2' HG22 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -58.16 -44.5 87.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 110.273 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 60' ' ' LEU . 4.1 tt0 -46.77 -63.44 1.02 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.466 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 1.9 mt-10 -39.33 -48.68 1.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -56.67 -44.52 91.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.571 1.17 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 57' ' ' GLN . 1.2 tm? -51.38 -54.19 29.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.427 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 15.2 mtm -59.7 -56.89 16.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 63' ' ' SER . 32.0 mm -48.05 -55.06 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.582 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 2.7 m -38.1 -53.83 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.952 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 61' ' ' MET . . . -42.91 -53.37 4.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.8 -44.79 59.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.021 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.641 HD11 HD12 ' A' ' 11' ' ' LEU . 2.7 mm? -64.12 -57.07 10.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.577 HD22 ' O ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -50.37 -61.32 2.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.457 ' N ' HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -40.2 -64.71 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.948 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -39.24 -34.04 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.266 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 111.35 -4.12 28.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.445 ' CD1' ' CG ' ' A' ' 12' ' ' TYR . 32.8 m-85 -51.39 -19.98 1.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.3 mt -130.63 123.71 30.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.409 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 76.7 mm-40 -96.36 131.49 28.42 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.99 143.28 28.91 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.532 1.806 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.541 ' HB1' ' CE1' ' A' ' 34' ' ' PHE . . . -132.84 114.78 14.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 126.8 -125.79 5.48 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -140.03 -48.94 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.749 . . . . 0.0 109.268 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.657 ' C ' HD23 ' A' ' 78' ' ' LEU . 4.9 tt -46.04 -70.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.558 ' N ' HD23 ' A' ' 78' ' ' LEU . 6.7 p -48.65 -55.37 11.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.993 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -46.39 -49.54 17.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -64.11 -30.38 71.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 79' ' ' SER . . . -68.86 -25.25 64.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.262 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.13 -24.67 15.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.58 -66.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 171.78 59.91 0.04 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.678 HG22 ' N ' ' A' ' 87' ' ' ALA . 3.7 mm -78.18 -78.75 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.678 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -130.09 -142.44 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.11 -17.54 24.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -109.53 107.6 59.46 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.401 ' HA ' ' O ' ' A' ' 82' ' ' ALA . 18.4 Cg_endo -74.97 -32.5 5.38 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.49 1.784 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 1.3 t80 -78.56 143.88 36.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 94' ' ' SER . 65.5 mt -123.82 109.77 14.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -66.93 71.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -145.67 148.58 37.08 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.025 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 0.78 8.49 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.521 1.8 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.416 ' O ' ' CE1' ' A' ' 98' ' ' PHE . 0.2 OUTLIER -89.23 -52.03 5.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.24 106.15 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.416 ' CE1' ' O ' ' A' ' 96' ' ' ASP . 17.8 m-85 -94.84 148.68 22.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 38' ' ' LEU . 59.8 m-85 -149.56 150.03 31.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -140.4 148.74 41.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 110.972 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.474 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 26.1 m-85 -66.98 151.08 97.49 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 60.84 5.54 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.453 1.765 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -177.57 -39.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.2 t -107.07 139.69 41.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 156.36 -156.42 27.1 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 156.69 42.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 m 178.27 103.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.998 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.86 -49.79 10.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.02 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.3 p -149.88 81.91 1.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 109.997 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.1 p -148.71 151.95 35.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.963 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.07 -57.27 1.85 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.13 . . . . 0.0 110.966 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.8 p -39.34 -49.64 1.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 0.736 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.0 p 44.05 70.27 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.013 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.24 -64.68 0.44 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.734 HD22 ' CD2' ' A' ' 66' ' ' LEU . 64.3 mt -61.0 -55.19 35.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 0.789 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -34.51 -74.38 0.08 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.617 ' HA ' HD12 ' A' ' 13' ' ' LEU . . . -43.51 -43.45 5.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.763 HD11 ' SD ' ' A' ' 15' ' ' MET . 0.8 OUTLIER -61.2 -50.49 72.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 13' ' ' LEU . 54.8 t80 -59.44 -50.61 73.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.617 HD12 ' HA ' ' A' ' 10' ' ' ALA . 59.5 mt -36.26 -40.92 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.464 ' O ' ' HA3' ' A' ' 21' ' ' GLY . 0.4 OUTLIER -73.1 -63.54 1.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.025 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.763 ' SD ' HD11 ' A' ' 11' ' ' LEU . 86.5 mtp -49.45 -23.65 1.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.961 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.415 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -92.1 25.29 2.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.498 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 0.6 OUTLIER -124.15 117.92 26.8 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 1.47 7.71 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.529 1.805 . . . . 0.0 110.962 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -110.52 -54.91 2.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.6 mmtt -115.76 32.92 5.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.498 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -140.72 -163.99 9.74 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.888 ' CG2' HD22 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -60.69 164.2 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.522 0.777 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.477 ' N ' HG23 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -98.57 147.49 24.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -108.48 125.53 51.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 mt -138.23 154.74 49.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -83.1 136.87 34.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.713 HD13 ' CD1' ' A' ' 98' ' ' PHE . 39.9 mt -131.43 104.15 6.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.495 ' CG ' ' HB ' ' A' ' 33' ' ' VAL . 29.6 tt0 -110.93 127.89 55.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.427 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 11.1 tttp -155.21 142.07 19.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER 76.78 -69.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.8 mttp 176.31 55.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 28' ' ' GLU . 0.2 OUTLIER -171.5 121.24 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.495 ' HB ' ' CG ' ' A' ' 28' ' ' GLU . 2.1 p -103.95 100.13 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -77.23 101.25 6.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -68.33 141.45 55.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 51.3 76.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.623 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.473 ' HB3' HD12 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -130.57 170.93 13.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 108.326 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.888 HD22 ' CG2' ' A' ' 22' ' ' ILE . 1.0 OUTLIER -132.16 -152.31 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.962 ' O ' HG13 ' A' ' 43' ' ' VAL . 1.9 p -160.86 137.51 8.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.44 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.62 -27.64 55.15 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.6 t -81.82 -39.21 24.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 0.0 110.024 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.427 ' O ' ' CB ' ' A' ' 45' ' ' ASP . . . -75.74 -47.36 12.07 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.543 1.152 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.962 HG13 ' O ' ' A' ' 39' ' ' THR . 14.1 m -48.02 -55.34 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.558 0.799 . . . . 0.0 109.254 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.694 ' HA ' HD12 ' A' ' 47' ' ' LEU . 77.4 mt -53.75 -31.56 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 42' ' ' GLY . 3.6 t0 -63.83 -44.96 91.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.59 ' CZ3' ' HG2' ' A' ' 15' ' ' MET . 48.4 t90 -65.19 -29.43 70.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 108.022 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.694 HD12 ' HA ' ' A' ' 44' ' ' ILE . 95.7 mt -67.31 -49.79 62.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.44 HG21 ' HG2' ' A' ' 56' ' ' ARG . 55.6 t -72.56 -43.15 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.05 -50.0 15.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.984 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.446 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 14.0 m-80 -78.36 -22.06 48.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 3.5 mmtt 84.6 53.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.486 HD12 HD23 ' A' ' 47' ' ' LEU . 11.9 mt -85.5 -29.79 23.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.49 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 1.9 m -126.41 -172.89 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -96.97 -26.75 14.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -154.56 154.85 33.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.645 ' HD2' HG22 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -45.4 -45.93 13.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.267 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 60' ' ' LEU . 2.4 tt0 -44.24 -62.8 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 0.0 110.339 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.49 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 1.9 mt-10 -42.0 -47.09 4.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -56.54 -40.59 87.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.44 1.088 . . . . 0.0 111.018 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 57' ' ' GLN . 1.2 tm? -52.44 -56.82 12.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 109.374 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 18.9 mtm -58.25 -55.29 36.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 63' ' ' SER . 38.1 mm -50.47 -54.54 8.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 91' ' ' PHE . 3.6 m -37.75 -56.48 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.012 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -41.88 -51.28 4.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -50.34 -41.19 50.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.025 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.734 ' CD2' HD22 ' A' ' 8' ' ' LEU . 1.0 OUTLIER -67.76 -56.39 9.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.478 HD12 ' O ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -53.08 -56.87 12.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -38.68 -67.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.967 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.559 ' HG3' HD12 ' A' ' 8' ' ' LEU . 52.7 mm-40 -40.68 -37.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 114.57 12.05 10.95 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -67.74 -23.45 65.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 0.773 . . . . 0.0 111.018 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.478 ' O ' HD12 ' A' ' 67' ' ' LEU . 27.3 mt -128.38 116.26 19.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.569 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . 29.3 mm-40 -87.29 139.47 32.1 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -75.02 146.33 32.43 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.486 1.782 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -137.38 101.62 4.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.35 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.77 167.55 36.36 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.546 1.154 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -54.92 -169.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 0.776 . . . . 0.0 109.282 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.5 ' CD2' HD23 ' A' ' 92' ' ' LEU . 0.7 OUTLIER 70.82 -76.03 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.71 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 23.3 m -62.77 -49.72 73.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.028 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -54.2 48.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.441 ' O ' ' CB ' ' A' ' 84' ' ' ASP . 20.1 m120 -48.73 -29.05 4.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.943 ' HA ' HD12 ' A' ' 86' ' ' ILE . . . -65.17 -62.81 1.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.6 -22.92 3.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.441 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 15.7 t0 -47.54 -65.42 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 157.79 42.45 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.472 1.108 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.943 HD12 ' HA ' ' A' ' 82' ' ' ALA . 13.2 mt -63.8 -79.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.515 0.773 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.611 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -136.08 -142.5 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.87 10.4 41.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.297 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -128.43 86.76 56.95 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.247 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.562 ' HA ' ' HB1' ' A' ' 82' ' ' ALA . 18.3 Cg_endo -74.96 -22.66 14.67 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.5 1.789 . . . . 0.0 110.977 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.618 ' C ' HD12 ' A' ' 92' ' ' LEU . 1.4 t80 -83.8 129.33 34.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.984 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.693 HD12 ' N ' ' A' ' 92' ' ' LEU . 1.3 mp -105.48 109.49 21.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -68.03 69.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -147.1 152.64 43.83 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 0.0 109.975 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.432 ' HA ' ' HB ' ' A' ' 39' ' ' THR . 18.4 Cg_endo -74.98 -10.58 21.32 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.521 1.801 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.484 ' O ' ' CE2' ' A' ' 98' ' ' PHE . 0.7 OUTLIER -75.34 -50.36 16.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.602 ' HB1' ' OG ' ' A' ' 79' ' ' SER . . . -62.02 115.82 4.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.713 ' CD1' HD13 ' A' ' 27' ' ' LEU . 16.9 m-85 -104.08 139.89 38.53 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.513 1.133 . . . . 0.0 110.951 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.556 ' CE1' ' HB3' ' A' ' 79' ' ' SER . 36.7 m-85 -139.35 150.01 44.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.569 ' CE1' ' HB2' ' A' ' 73' ' ' GLN . 37.5 p90 -141.38 153.4 45.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.506 ' CZ ' ' O ' ' A' ' 15' ' ' MET . 32.1 m-85 -75.63 143.7 75.85 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 73.38 4.35 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.486 1.782 . . . . 0.0 111.031 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 163.76 -37.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.28 -37.22 11.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.972 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.442 ' HA3' ' CD1' ' A' ' 100' ' ' TYR . . . -63.01 -170.43 1.3 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 145.27 31.18 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.499 1.789 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 51.5 p -78.56 160.14 27.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.98 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.53 149.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.998 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.532 1.145 . . . . 0.0 110.956 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.6 t -118.87 -63.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 109.978 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 m 62.21 127.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 42.99 -165.58 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 7' ' ' GLY . 15.5 m 64.81 46.08 3.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 0.771 . . . . 0.0 110.023 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.69 88.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.0 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 5' ' ' SER . . . 134.69 -86.28 0.26 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.51 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 5.6 mp -39.82 -62.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -34.72 -71.73 0.13 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.438 1.087 . . . . 0.0 110.999 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.02 -51.98 7.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.824 ' CD2' HD11 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -54.31 -56.24 20.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.437 ' N ' ' HG ' ' A' ' 11' ' ' LEU . 27.3 t80 -52.58 -49.63 64.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.6 mt -47.06 -37.07 8.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.54 -47.53 54.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.973 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 11.4 mtt -46.97 -28.28 1.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.55 -40.77 93.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.362 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.508 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 0.4 OUTLIER -57.95 111.89 4.11 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -0.92 10.54 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.476 1.777 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -117.71 -54.68 2.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.293 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -96.57 14.66 24.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.508 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -139.0 -154.36 6.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.608 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -71.42 157.14 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.423 ' O ' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -93.34 -172.53 2.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.884 ' C ' HD13 ' A' ' 25' ' ' LEU . 26.5 mt-10 -138.11 105.12 5.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.884 HD13 ' C ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -113.75 146.59 39.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.935 ' C ' HD13 ' A' ' 27' ' ' LEU . 9.9 p30 -94.88 129.93 41.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.358 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.935 HD13 ' C ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -127.89 145.56 50.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.95 120.65 37.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -103.62 -84.61 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.98 89.06 2.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.345 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt 41.26 32.23 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.5 120.26 32.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.555 HG12 ' OD1' ' A' ' 35' ' ' ASN . 63.8 t -91.58 97.59 7.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.557 ' CE1' ' HB1' ' A' ' 75' ' ' ALA . 49.1 m-85 -82.6 102.28 11.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.555 ' OD1' HG12 ' A' ' 33' ' ' VAL . 9.7 m-20 -96.09 156.41 16.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 46.81 39.3 7.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.602 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 59.8 m -113.2 166.61 11.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.422 1.076 . . . . 0.0 108.343 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.603 HD11 ' CE1' ' A' ' 101' ' ' PHE . 0.7 OUTLIER -115.94 -152.93 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.928 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -153.04 147.08 25.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.369 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -48.26 -52.82 17.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.6 t -67.43 -57.2 6.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 0.762 . . . . 0.0 110.005 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -42.48 -49.01 5.81 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.455 1.097 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.928 HG23 ' O ' ' A' ' 39' ' ' THR . 73.7 t -42.84 -43.4 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.742 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.83 HG21 ' HD2' ' A' ' 56' ' ' ARG . 10.7 mt -79.44 -43.8 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 49' ' ' SER . 38.4 t0 -41.09 -47.82 3.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.698 ' CZ3' ' CD1' ' A' ' 52' ' ' LEU . 61.9 t90 -60.44 -57.21 13.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 108.024 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.566 HD23 ' CD1' ' A' ' 52' ' ' LEU . 32.7 mt -47.86 -43.32 28.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 67.4 t -73.58 -28.77 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.357 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 45' ' ' ASP . 0.3 OUTLIER -73.18 -45.16 58.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.984 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.616 ' ND2' ' CD2' ' A' ' 46' ' ' TRP . 7.6 p30 -84.17 -21.1 31.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' LEU . 3.2 mmtp 81.21 37.5 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.698 ' CD1' ' CZ3' ' A' ' 46' ' ' TRP . 9.5 mt -71.63 -10.89 60.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.512 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 3.8 m -137.39 -171.79 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.5 mtt180 -95.14 -25.82 16.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -167.43 -175.95 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.83 ' HD2' HG21 ' A' ' 44' ' ' ILE . 0.7 OUTLIER -61.3 -38.4 86.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 60' ' ' LEU . 1.2 tm0? -48.41 -66.88 0.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.512 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 6.1 mt-10 -40.45 -51.23 2.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.113 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.748 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -51.47 -39.31 44.42 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.7 OUTLIER -60.57 -48.46 81.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 0.792 . . . . 0.0 109.319 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 34.7 mtm -70.54 -45.99 64.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 65' ' ' SER . 5.0 mm -62.78 -55.07 26.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.566 ' HB3' ' CD2' ' A' ' 91' ' ' PHE . 5.7 m -37.81 -45.05 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.466 ' HB1' ' HD2' ' A' ' 90' ' ' PRO . . . -56.23 -51.75 66.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -51.68 -42.27 62.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.019 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.824 HD11 ' CD2' ' A' ' 11' ' ' LEU . 1.7 mm? -62.59 -56.48 17.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.716 HD12 ' O ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -56.33 -57.65 11.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -37.93 -68.22 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.442 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 33.1 mm-40 -40.94 -39.47 1.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 114.86 26.81 3.45 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.51 ' CE2' ' HB3' ' A' ' 8' ' ' LEU . 27.4 m-85 -87.67 -9.73 53.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 0.737 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.716 ' O ' HD12 ' A' ' 67' ' ' LEU . 14.2 mt -141.94 117.64 10.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.509 ' CB ' ' CZ ' ' A' ' 100' ' ' TYR . 55.7 mm-40 -92.25 136.45 25.7 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -75.05 142.4 27.64 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.473 1.775 . . . . 0.0 110.996 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.557 ' HB1' ' CE1' ' A' ' 34' ' ' PHE . . . -144.4 110.32 5.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 140.61 -102.38 0.32 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.442 1.089 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -166.36 -50.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.4 mp -44.67 -72.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 80.5 p -48.31 -47.04 36.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.945 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -52.21 -44.98 65.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.49 ' O ' ' CB ' ' A' ' 84' ' ' ASP . 1.3 t-20 -58.6 -51.77 68.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.667 ' HB2' HD11 ' A' ' 92' ' ' LEU . . . -56.85 -51.62 68.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.32 -24.31 64.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 3.7 t0 -55.74 -63.53 1.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 169.04 47.29 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.466 1.104 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.702 HG22 ' N ' ' A' ' 87' ' ' ALA . 3.3 mm -67.97 -78.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.702 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -135.93 -143.53 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -88.8 -15.28 35.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.57 103.49 46.64 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.466 ' HD2' ' HB1' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.03 -26.84 10.49 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.49 1.784 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.566 ' CD2' ' HB3' ' A' ' 63' ' ' SER . 3.9 t80 -81.14 149.21 29.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.667 HD11 ' HB2' ' A' ' 82' ' ' ALA . 36.4 mt -126.03 114.09 17.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.45 ' OD1' ' NH2' ' A' ' 56' ' ' ARG . 4.8 t0 -72.65 69.56 0.89 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.95 149.06 67.43 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.001 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -8.47 20.09 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.788 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.594 ' O ' ' CE2' ' A' ' 98' ' ' PHE . 59.7 m-20 -83.41 -54.63 4.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -46.97 131.97 11.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.594 ' CE2' ' O ' ' A' ' 96' ' ' ASP . 78.9 m-85 -120.79 136.0 55.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.403 ' HA ' ' O ' ' A' ' 73' ' ' GLN . 93.8 m-85 -134.14 163.81 28.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.509 ' CZ ' ' CB ' ' A' ' 73' ' ' GLN . 47.4 p90 -158.16 154.9 28.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 111.023 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.603 ' CE1' HD11 ' A' ' 38' ' ' LEU . 12.9 m-85 -76.58 140.87 68.49 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 78.05 2.98 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.507 1.793 . . . . 0.0 110.964 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.7 t70 174.91 -37.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.91 -71.53 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.971 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 40.41 -154.41 0.06 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.555 1.159 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 158.34 42.14 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.799 . . . . 0.0 110.962 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.9 t -131.02 104.18 6.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.7 m 62.71 93.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.02 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.4 t 59.18 112.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 0.769 . . . . 0.0 109.989 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.37 127.79 53.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 110.019 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.74 -148.69 26.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.4 m 62.79 48.31 4.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 0.753 . . . . 0.0 109.975 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.58 98.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.026 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.94 -83.95 0.35 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.446 1.091 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.513 ' O ' ' C ' ' A' ' 9' ' ' GLY . 6.0 mp -41.44 -66.51 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 0.801 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.513 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -28.07 -70.87 0.05 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -48.82 -51.84 27.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 0.765 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.006 ' CD1' HD11 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -54.89 -54.25 44.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.886 ' N ' HD13 ' A' ' 11' ' ' LEU . 35.3 t80 -53.42 -51.89 61.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.539 HD23 ' HE3' ' A' ' 16' ' ' LYS . 24.8 mt -42.99 -38.25 2.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.35 -51.47 44.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.046 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.501 ' HG2' ' CZ3' ' A' ' 46' ' ' TRP . 11.5 mtp -46.94 -24.0 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.539 ' HE3' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -67.09 -45.15 78.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.505 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 2.0 t70 -52.87 116.11 8.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -1.99 11.95 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.534 1.807 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -118.1 -54.56 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -96.0 15.4 20.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.505 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -139.56 -155.07 6.5 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.706 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -68.49 163.65 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 109.311 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' N ' HG23 ' A' ' 22' ' ' ILE . 0.9 OUTLIER -95.65 -172.21 2.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -151.67 96.71 2.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.566 HD22 ' N ' ' A' ' 25' ' ' LEU . 2.3 mm? -100.17 165.27 11.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -100.68 99.45 10.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.633 HD11 HG23 ' A' ' 39' ' ' THR . 10.7 mt -83.99 101.63 11.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.439 ' CG ' ' HB ' ' A' ' 33' ' ' VAL . 21.3 tt0 -108.6 105.79 15.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.2 tttm -153.22 151.91 30.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.8 t0 58.65 39.68 24.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? 54.04 60.44 3.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 28' ' ' GLU . 5.3 mttt -174.64 126.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.253 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.439 ' HB ' ' CG ' ' A' ' 28' ' ' GLU . 1.5 p -117.71 114.58 45.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -92.95 101.6 13.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -77.68 147.72 35.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 54.83 62.72 2.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.621 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.641 ' O ' HD23 ' A' ' 38' ' ' LEU . 96.3 m -138.96 176.51 8.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 108.346 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.698 HD11 ' CE1' ' A' ' 101' ' ' PHE . 0.2 OUTLIER -132.99 -154.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.633 HG23 HD11 ' A' ' 27' ' ' LEU . 1.8 p -158.11 135.82 10.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.421 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.42 ' HA2' ' CE1' ' A' ' 91' ' ' PHE . . . -39.85 -45.12 2.82 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.1 t -72.4 -43.44 63.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 109.996 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.51 -50.24 66.29 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.706 ' HA ' HD11 ' A' ' 22' ' ' ILE . 78.0 t -43.33 -46.31 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 0.789 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.951 ' HA ' HD12 ' A' ' 47' ' ' LEU . 21.2 mt -71.83 -41.26 69.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.583 1.177 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 49' ' ' SER . 54.8 t0 -45.01 -46.38 11.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.627 ' CD2' ' ND2' ' A' ' 50' ' ' ASN . 61.7 t90 -59.58 -57.45 12.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 107.966 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.951 HD12 ' HA ' ' A' ' 44' ' ' ILE . 4.1 mt -45.2 -45.09 11.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.811 HG21 ' HG2' ' A' ' 56' ' ' ARG . 25.0 t -73.41 -31.27 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -69.09 -44.55 72.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.627 ' ND2' ' CD2' ' A' ' 46' ' ' TRP . 6.0 p30 -84.28 -21.76 30.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 4.5 mmtt 82.89 35.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.59 ' CD1' ' CZ3' ' A' ' 46' ' ' TRP . 9.7 mt -69.51 -18.38 63.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.429 ' HB ' ' CB ' ' A' ' 58' ' ' GLU . 27.7 m -131.58 -172.21 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -99.52 -26.65 14.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 110.311 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -160.93 153.58 20.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.811 ' HG2' HG21 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -39.01 -41.34 0.76 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.274 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 60' ' ' LEU . 5.0 tm0? -48.01 -67.41 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 110.295 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.429 ' CB ' ' HB ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -39.63 -50.61 2.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.505 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -53.92 -41.45 67.74 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.471 1.107 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.7 OUTLIER -54.04 -54.75 34.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 35.9 mtm -58.51 -50.58 73.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.4 ' O ' HD23 ' A' ' 66' ' ' LEU . 24.5 mm -58.03 -50.48 77.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.571 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . 21.9 m -40.51 -50.11 2.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.77 -54.7 17.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.162 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.45 -45.0 25.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.01 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 1.006 HD11 ' CD1' ' A' ' 11' ' ' LEU . 2.1 mm? -59.7 -55.03 39.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.846 HD12 ' O ' ' A' ' 72' ' ' LEU . 4.0 tp -56.96 -56.3 23.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.36 -62.27 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.969 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -45.94 -40.94 10.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 116.83 32.84 1.49 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.678 ' CE1' ' CD2' ' A' ' 12' ' ' TYR . 29.6 m-85 -90.9 -27.61 18.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 110.95 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.846 ' O ' HD12 ' A' ' 67' ' ' LEU . 3.0 mm? -116.59 120.58 39.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.534 ' CB ' ' CE1' ' A' ' 100' ' ' TYR . 40.0 mm-40 -97.42 133.36 23.88 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -75.07 136.08 19.78 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -129.95 119.38 23.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 121.46 -86.82 0.4 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.536 1.147 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 170.28 -43.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.586 ' C ' HD23 ' A' ' 78' ' ' LEU . 6.3 tt -40.95 -76.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.708 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 73.7 m -55.87 -44.78 78.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.41 -55.3 5.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.467 ' O ' ' CB ' ' A' ' 84' ' ' ASP . 2.0 m-80 -45.17 -34.63 2.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 79' ' ' SER . . . -57.92 -68.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -42.68 -30.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.467 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 3.0 t70 -54.83 -62.27 1.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 163.9 60.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.519 1.137 . . . . 0.0 110.97 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.677 HG22 ' N ' ' A' ' 87' ' ' ALA . 3.3 mm -76.17 -78.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.677 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -135.53 -144.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.18 6.34 48.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -134.76 105.48 10.7 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.473 ' HB2' ' CD2' ' A' ' 67' ' ' LEU . 18.4 Cg_endo -74.96 -25.89 11.51 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.465 1.771 . . . . 0.0 111.0 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.633 ' C ' HD12 ' A' ' 92' ' ' LEU . 2.5 t80 -86.23 129.66 34.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.69 HD12 ' N ' ' A' ' 92' ' ' LEU . 1.2 mp -105.64 113.6 27.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -72.4 63.78 0.57 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.25 148.71 60.74 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.001 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -10.1 21.04 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.506 1.792 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.583 ' O ' ' CE1' ' A' ' 98' ' ' PHE . 2.8 m-20 -77.86 -31.3 51.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.245 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.569 ' HB1' ' OG ' ' A' ' 79' ' ' SER . . . -73.66 133.69 43.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.583 ' CE1' ' O ' ' A' ' 96' ' ' ASP . 5.6 m-30 -120.35 124.14 44.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -126.83 145.71 50.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.534 ' CE1' ' CB ' ' A' ' 73' ' ' GLN . 22.9 p90 -139.87 147.65 40.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.698 ' CE1' HD11 ' A' ' 38' ' ' LEU . 13.9 m-85 -68.56 136.81 90.63 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 73.65 4.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 30.1 t0 179.97 -37.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.3 -70.03 0.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.018 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 41.8 -163.55 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.544 1.153 . . . . 0.0 111.003 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 138.51 23.19 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.543 1.812 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.76 -61.97 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 29.6 m -40.8 -57.25 1.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.489 1.118 . . . . 0.0 110.967 179.944 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.6 t -157.95 161.36 38.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 0.73 . . . . 0.0 109.971 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.7 153.96 23.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.02 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.38 125.99 2.73 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m 56.04 94.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 109.97 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.18 107.56 2.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.957 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.85 -66.08 0.58 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.5 1.125 . . . . 0.0 111.053 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 9' ' ' GLY . 25.7 mt -59.75 -56.78 17.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 0.772 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -36.19 -72.83 0.13 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -42.64 -48.07 5.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 109.317 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.535 ' C ' HD12 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -57.36 -56.31 23.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.598 ' CD2' ' CD1' ' A' ' 71' ' ' TYR . 26.5 t80 -51.93 -47.81 64.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.7 mt -49.89 -40.2 42.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.5 OUTLIER -65.65 -48.58 71.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.95 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.0 mtp -46.71 -24.61 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.0 -39.69 75.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.524 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 0.4 OUTLIER -57.52 112.17 4.37 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -0.8 10.41 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.547 1.814 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -117.04 -54.89 2.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -97.94 15.86 22.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.524 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -141.43 -156.07 6.69 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.554 1.159 . . . . 0.0 111.012 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.655 HD13 HD13 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -69.47 167.46 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.257 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.527 ' N ' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -107.28 -169.91 1.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -141.88 129.94 22.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.316 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mt -139.15 164.72 29.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -90.52 149.23 22.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.475 HD11 HG23 ' A' ' 39' ' ' THR . 23.6 mt -143.14 100.68 3.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.488 ' CG ' ' HB ' ' A' ' 33' ' ' VAL . 40.3 tt0 -108.58 128.17 54.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.423 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -154.2 142.66 20.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.25 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.423 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER 76.18 -69.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.74 54.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 28' ' ' GLU . 3.1 mttt -171.27 124.28 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.488 ' HB ' ' CG ' ' A' ' 28' ' ' GLU . 2.2 p -105.7 108.56 25.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -87.48 102.38 14.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -76.53 147.78 37.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 55.84 72.25 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.607 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.681 ' C ' HD23 ' A' ' 38' ' ' LEU . 4.4 t -142.33 166.66 24.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 108.333 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.687 ' O ' HG23 ' A' ' 39' ' ' THR . 0.5 OUTLIER -115.61 -151.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.687 HG23 ' O ' ' A' ' 38' ' ' LEU . 1.8 p -159.38 130.15 5.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.402 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 39' ' ' THR . . . -37.07 -40.79 0.58 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.2 -44.27 26.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 39' ' ' THR . . . -60.8 -42.41 99.5 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.57 ' HA ' HD11 ' A' ' 22' ' ' ILE . 77.4 t -48.46 -45.37 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.462 0.743 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.932 ' HA ' HD12 ' A' ' 47' ' ' LEU . 9.2 mt -74.38 -41.03 50.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 49' ' ' SER . 19.2 t0 -42.72 -48.07 5.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.684 ' CZ3' ' CD1' ' A' ' 52' ' ' LEU . 62.0 t90 -60.2 -58.36 8.83 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.932 HD12 ' HA ' ' A' ' 44' ' ' ILE . 4.0 mt -45.64 -48.62 14.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.611 HG21 ' HG2' ' A' ' 56' ' ' ARG . 8.2 t -68.3 -34.27 65.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 45' ' ' ASP . 0.4 OUTLIER -66.76 -47.46 72.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.541 1.15 . . . . 0.0 110.038 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.613 ' ND2' ' CD2' ' A' ' 46' ' ' TRP . 7.2 p30 -81.8 -17.01 49.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 47' ' ' LEU . 2.9 mmtp 76.87 35.31 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.758 HD13 HD23 ' A' ' 47' ' ' LEU . 6.7 mt -64.45 -21.25 66.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.506 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 4.7 m -129.12 -173.57 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -89.72 -27.6 19.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.476 ' OD1' ' CB ' ' A' ' 57' ' ' GLN . 0.9 OUTLIER -163.11 -178.35 5.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.783 ' HD2' HG21 ' A' ' 44' ' ' ILE . 1.2 mmm-85 -61.45 -38.71 88.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.476 ' CB ' ' OD1' ' A' ' 55' ' ' ASN . 2.5 tm0? -47.75 -65.18 0.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 110.274 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.506 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 3.9 mt-10 -41.0 -49.93 3.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.717 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -53.84 -38.02 58.86 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.4 OUTLIER -59.46 -52.14 66.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 0.731 . . . . 0.0 109.288 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 18.9 mtm -66.73 -48.45 69.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 65' ' ' SER . 4.1 mm -59.96 -53.02 54.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.545 ' HB3' ' CD1' ' A' ' 91' ' ' PHE . 14.3 m -38.95 -42.85 0.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.019 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.07 -50.9 71.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -52.25 -37.49 55.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.482 ' HB3' ' CD2' ' A' ' 72' ' ' LEU . 44.2 mt -67.92 -55.91 11.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.592 HD22 ' O ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -56.72 -60.32 3.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.528 ' N ' HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -37.74 -64.78 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.008 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -40.98 -40.22 1.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 114.05 25.17 4.26 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.544 1.152 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.598 ' CD1' ' CD2' ' A' ' 12' ' ' TYR . 30.5 m-85 -82.83 -23.3 33.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.504 ' O ' HD23 ' A' ' 67' ' ' LEU . 2.6 mm? -119.01 124.82 47.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.506 ' HB2' ' CZ ' ' A' ' 100' ' ' TYR . 26.8 mm-40 -96.54 124.24 51.51 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 110.239 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 132.76 15.74 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.553 1.818 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -133.3 123.87 26.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 128.12 -111.63 1.32 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -154.69 -52.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 0.787 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.47 -71.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.479 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -39.79 -41.31 1.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.012 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -56.12 -62.08 1.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -43.34 -49.06 6.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.653 ' HB1' ' O ' ' A' ' 90' ' ' PRO . . . -46.54 -53.69 10.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.31 58.02 2.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -143.01 -60.66 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -178.7 36.03 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.521 1.138 . . . . 0.0 110.954 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.557 HG22 ' N ' ' A' ' 87' ' ' ALA . 5.4 mm -69.63 -73.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 0.75 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.557 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -147.17 -145.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.01 7.59 41.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.61 104.66 17.38 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.653 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 18.3 Cg_endo -74.96 -25.69 11.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 111.006 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.545 ' CD1' ' HB3' ' A' ' 63' ' ' SER . 1.9 t80 -92.51 140.25 29.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.476 ' CD1' ' HB2' ' A' ' 82' ' ' ALA . 43.7 mt -118.65 115.0 23.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 6.4 t0 -70.19 67.06 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -141.16 149.04 54.03 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.027 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -3.51 14.03 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.469 1.773 . . . . 0.0 111.027 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.423 ' O ' ' CE1' ' A' ' 98' ' ' PHE . 0.4 OUTLIER -82.65 -41.32 19.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.61 119.67 12.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.423 ' CE1' ' O ' ' A' ' 96' ' ' ASP . 10.3 m-85 -106.44 138.34 42.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -140.3 145.47 37.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.506 ' CZ ' ' HB2' ' A' ' 73' ' ' GLN . 41.5 p90 -139.55 143.02 37.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.572 ' CE1' HD11 ' A' ' 38' ' ' LEU . 16.4 m-85 -61.44 134.13 93.4 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 111.049 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 72.94 4.47 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.0 t70 174.58 -36.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.78 -70.63 0.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 39.05 -159.62 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 158.88 41.67 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.443 1.759 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.28 122.52 3.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.039 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.5 t -54.06 -42.41 69.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 179.98 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t 64.3 117.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 0.0 110.02 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -119.24 -57.08 2.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.962 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.83 143.55 6.99 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.493 1.121 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.22 -62.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 0.8 . . . . 0.0 110.033 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.8 t -162.87 60.59 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.465 ' O ' HD23 ' A' ' 8' ' ' LEU . . . 58.05 74.23 0.37 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.465 HD23 ' O ' ' A' ' 7' ' ' GLY . 25.3 mt -125.31 -51.82 1.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 0.786 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -45.36 -68.55 0.95 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.62 ' HA ' HD12 ' A' ' 13' ' ' LEU . . . -44.93 -51.01 10.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 0.0 109.296 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.78 ' C ' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -54.94 -56.57 18.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -51.75 -39.37 58.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.978 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.62 HD12 ' HA ' ' A' ' 10' ' ' ALA . 60.9 mt -58.27 -47.44 83.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.25 -48.47 81.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.029 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 11.5 mtt -45.32 -37.8 5.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.979 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.82 -46.73 71.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.522 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.8 t0 -52.51 110.89 2.15 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.412 ' HA ' ' O ' ' A' ' 22' ' ' ILE . 18.4 Cg_endo -74.94 -0.46 9.97 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.44 1.758 . . . . 0.0 111.043 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -117.26 -55.44 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 110.282 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -94.79 10.37 35.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.522 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -135.95 -154.19 6.83 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.782 HD13 HD13 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -68.75 162.91 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.55 0.794 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.446 ' N ' HG23 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -87.82 -176.1 5.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -150.0 89.86 1.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.534 HD22 ' N ' ' A' ' 25' ' ' LEU . 2.5 mm? -105.28 165.61 10.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -111.28 110.17 20.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 mt -100.7 156.48 17.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -118.41 144.35 46.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 tptp -140.04 106.34 5.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.1 t0 72.32 -61.14 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -154.94 -54.29 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.533 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 1.8 ptmt -46.46 144.85 1.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.8 t -118.46 103.43 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.533 ' CE1' ' HG3' ' A' ' 32' ' ' LYS . 18.7 m-85 -77.31 101.32 6.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -86.15 146.97 26.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 46.52 77.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.554 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.705 ' C ' HD23 ' A' ' 38' ' ' LEU . 85.6 m -145.53 175.12 10.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 108.275 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.782 HD13 HD13 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -130.03 -157.18 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.698 HG23 ' O ' ' A' ' 38' ' ' LEU . 2.0 p -159.77 139.72 11.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.385 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.426 ' HA2' ' CE2' ' A' ' 91' ' ' PHE . . . -37.9 -43.9 1.35 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.0 t -68.99 -44.99 71.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 110.026 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 39' ' ' THR . . . -65.59 -44.55 92.55 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.549 1.156 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.642 ' HA ' HD11 ' A' ' 22' ' ' ILE . 96.2 t -47.18 -48.43 8.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.493 0.76 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.769 HG21 ' HD2' ' A' ' 56' ' ' ARG . 11.3 mt -74.48 -44.25 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -40.87 -46.71 2.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.643 ' CZ3' ' CD1' ' A' ' 52' ' ' LEU . 60.0 t90 -60.73 -56.77 17.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 107.967 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.462 HD23 ' CD1' ' A' ' 52' ' ' LEU . 49.5 mt -46.08 -46.35 16.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.254 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.448 HG21 ' HG2' ' A' ' 56' ' ' ARG . 24.9 t -71.0 -32.26 47.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 46' ' ' TRP . 0.2 OUTLIER -68.5 -46.54 69.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.975 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.622 ' ND2' ' CD2' ' A' ' 46' ' ' TRP . 6.9 p30 -83.0 -20.04 35.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 47' ' ' LEU . 3.9 mmtp 80.01 36.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.643 ' CD1' ' CZ3' ' A' ' 46' ' ' TRP . 8.2 mt -69.23 -10.73 59.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.531 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 2.4 m -139.65 -171.43 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.1 mtt180 -95.96 -26.08 15.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.339 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -161.85 -177.93 6.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.769 ' HD2' HG21 ' A' ' 44' ' ' ILE . 0.6 OUTLIER -61.7 -39.37 91.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.416 ' O ' ' HB3' ' A' ' 60' ' ' LEU . 4.0 tm0? -49.33 -70.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.531 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 2.9 mt-10 -38.14 -48.84 1.29 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 110.239 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.597 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -53.25 -47.87 60.61 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.416 ' HB3' ' O ' ' A' ' 57' ' ' GLN . 2.8 tp -50.54 -65.55 0.54 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.406 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 23.2 mtm -47.13 -52.2 16.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 65' ' ' SER . 10.0 mm -56.31 -57.95 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.558 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 4.4 m -36.59 -49.16 0.74 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.996 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 61' ' ' MET . . . -50.6 -52.05 42.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -51.05 -43.09 60.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.952 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.563 HD11 ' CD2' ' A' ' 11' ' ' LEU . 2.6 mm? -61.89 -55.89 24.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.536 HD12 ' O ' ' A' ' 72' ' ' LEU . 2.7 tp -56.14 -56.67 18.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -37.92 -67.67 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.003 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -41.03 -39.95 1.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 114.86 26.61 3.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.577 1.173 . . . . 0.0 110.952 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.424 ' O ' HD13 ' A' ' 72' ' ' LEU . 25.7 m-85 -81.96 -25.47 34.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 0.74 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.536 ' O ' HD12 ' A' ' 67' ' ' LEU . 2.4 mm? -118.43 127.39 53.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -100.36 128.28 30.81 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 138.35 22.88 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.483 1.781 . . . . 0.0 111.031 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -137.69 122.46 18.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 134.49 -91.76 0.24 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 178.11 -37.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 0.774 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.629 HD21 HD22 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -61.19 -79.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.768 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 15.2 p -39.84 -37.03 0.5 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 110.001 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -56.88 -53.49 57.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 78' ' ' LEU . 16.0 m-80 -54.08 -25.54 22.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.236 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.768 ' HB3' ' O ' ' A' ' 79' ' ' SER . . . -64.06 -68.46 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -50.59 -24.67 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -55.51 -62.67 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 162.29 53.97 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.46 1.1 . . . . 0.0 110.955 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.677 HG22 ' N ' ' A' ' 87' ' ' ALA . 3.5 mm -73.52 -78.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.677 ' N ' HG22 ' A' ' 86' ' ' ILE . . . -131.94 -143.84 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -91.58 -17.49 25.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 110.278 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -111.03 105.5 57.14 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.409 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 18.3 Cg_endo -74.96 -22.56 14.77 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.493 1.786 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.644 ' C ' HD12 ' A' ' 92' ' ' LEU . 1.9 t80 -86.25 131.43 34.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.705 HD12 ' N ' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -104.89 107.43 18.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.331 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -68.78 67.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -144.42 151.91 52.16 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -2.2 12.22 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.528 1.804 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.56 ' O ' ' CE2' ' A' ' 98' ' ' PHE . 0.3 OUTLIER -83.53 -52.49 6.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.401 ' O ' ' HA ' ' A' ' 39' ' ' THR . . . -59.9 119.33 7.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.56 ' CE2' ' O ' ' A' ' 96' ' ' ASP . 8.9 m-85 -105.67 132.09 52.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.951 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.432 ' CE1' HD13 ' A' ' 67' ' ' LEU . 26.8 m-85 -131.54 146.5 52.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.433 ' CD2' ' HA3' ' A' ' 105' ' ' GLY . 35.2 p90 -145.96 147.44 31.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.535 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 8.5 m-85 -64.74 139.35 97.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 64.59 6.03 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.534 1.807 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -167.61 -43.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 105' ' ' GLY . 0.5 OUTLIER -97.48 -66.37 0.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.433 ' HA3' ' CD2' ' A' ' 100' ' ' TYR . . . 37.07 -150.87 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 61.18 5.64 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.48 1.779 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 108' ' ' SER . 0.6 OUTLIER 69.41 -68.83 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.006 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 107' ' ' SER . 1.7 t 79.38 -54.09 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.981 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.97 128.33 54.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 0.79 . . . . 0.0 110.012 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.35 170.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -38.02 -86.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 m 41.13 48.64 3.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 0.772 . . . . 0.0 109.969 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.47 94.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 132.52 -85.61 0.29 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.488 1.117 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.446 ' CD2' ' HG3' ' A' ' 69' ' ' GLU . 5.8 mp -39.68 -65.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -33.49 -72.05 0.1 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -42.94 -54.76 4.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 0.785 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.666 ' C ' HD12 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -52.98 -58.12 8.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.49 ' CG ' ' CD1' ' A' ' 71' ' ' TYR . 34.9 t80 -50.29 -47.85 55.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.1 mt -49.42 -38.89 30.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.6 OUTLIER -66.57 -52.65 43.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.992 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 101' ' ' PHE . 19.6 mtt -42.85 -33.12 0.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -61.1 -43.38 98.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 14' ' ' SER . 0.7 OUTLIER -55.3 118.13 17.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -2.7 12.89 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.48 1.779 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -121.7 -52.6 2.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -94.34 18.11 11.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.428 ' N ' ' HB3' ' A' ' 17' ' ' ASP . . . -138.28 -152.64 6.05 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.537 1.148 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.762 ' CG2' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -77.6 159.25 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 0.742 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.2 -174.97 4.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -153.14 101.65 2.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.332 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.94 170.03 8.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -109.01 111.22 22.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 mt -107.41 123.57 48.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 32' ' ' LYS . 81.1 tt0 -88.63 126.56 35.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.96 138.58 14.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 t0 62.05 34.33 16.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.3 mttt 58.59 53.71 5.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -156.23 127.63 7.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.2 t -87.08 85.83 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.339 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -71.38 102.13 2.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -86.62 164.56 16.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.459 ' HB2' ' CA ' ' A' ' 105' ' ' GLY . 25.7 m-70 42.43 53.95 4.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.553 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -116.32 166.15 12.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.167 . . . . 0.0 108.317 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.762 HD22 ' CG2' ' A' ' 22' ' ' ILE . 0.5 OUTLIER -127.96 -155.51 0.7 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.953 ' O ' HG13 ' A' ' 43' ' ' VAL . 2.5 p -159.12 135.93 9.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.416 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.402 ' C ' HG22 ' A' ' 43' ' ' VAL . . . -56.64 -26.34 52.84 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.539 1.15 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.44 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 31.3 t -83.92 -41.44 17.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 0.762 . . . . 0.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.47 -43.91 43.35 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.109 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.953 HG13 ' O ' ' A' ' 39' ' ' THR . 17.4 m -51.23 -55.35 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.762 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.687 HG22 ' HD2' ' A' ' 56' ' ' ARG . 78.5 mt -54.89 -37.81 42.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -60.33 -39.79 88.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.52 ' CG ' HG13 ' A' ' 22' ' ' ILE . 79.4 t90 -68.03 -38.35 82.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 107.973 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 51.6 mt -55.98 -37.68 69.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 43.3 t -85.64 -40.65 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.361 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.64 -47.48 40.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.986 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.46 ' ND2' ' CE2' ' A' ' 46' ' ' TRP . 13.4 m-80 -81.32 -22.55 38.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 10.2 mmtt 84.43 65.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.365 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.485 ' HA ' HD23 ' A' ' 52' ' ' LEU . 12.9 mt -103.66 -25.96 12.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.443 ' HB ' ' CB ' ' A' ' 58' ' ' GLU . 16.5 m -128.0 179.76 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -84.97 -30.33 24.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -160.92 161.37 31.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.687 ' HD2' HG22 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -42.75 -47.61 5.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.309 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.76 -63.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.445 ' N ' ' OE1' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -45.4 -48.61 13.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.365 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.409 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -52.33 -41.22 54.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.109 . . . . 0.0 110.978 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.411 HD23 HD11 ' A' ' 44' ' ' ILE . 1.1 tm? -55.03 -57.07 13.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.771 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 32.6 mtm -56.03 -48.74 75.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 65' ' ' SER . 25.8 mm -60.35 -50.99 78.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.566 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 64.9 m -40.02 -52.24 2.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.99 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.494 ' HB1' ' HD2' ' A' ' 90' ' ' PRO . . . -45.22 -48.84 12.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -52.11 -41.38 62.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.027 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.592 HD11 ' CD2' ' A' ' 11' ' ' LEU . 1.2 mm? -64.53 -57.08 10.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.613 HD22 ' O ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -55.42 -61.07 2.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.481 ' N ' HD13 ' A' ' 67' ' ' LEU . 1.7 t -38.0 -62.88 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.049 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.446 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 21.6 mm-40 -44.01 -40.34 4.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.301 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 114.64 31.68 2.09 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.645 ' C ' HD22 ' A' ' 72' ' ' LEU . 33.6 m-85 -90.24 -17.51 27.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.751 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.645 HD22 ' C ' ' A' ' 71' ' ' TYR . 2.7 mm? -126.22 124.92 41.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.45 ' CB ' ' CZ ' ' A' ' 100' ' ' TYR . 34.9 mm-40 -94.03 126.07 50.38 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 120.37 6.02 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.547 1.814 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.437 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -112.5 143.49 43.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 98.82 -124.9 8.37 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -139.34 -48.13 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 0.73 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 81' ' ' ASN . 0.6 OUTLIER -49.01 -75.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.517 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 36.8 m -41.91 -39.45 1.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.978 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -59.3 -47.62 84.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 78' ' ' LEU . 51.3 m-20 -60.42 -36.28 77.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.699 ' HB1' ' O ' ' A' ' 90' ' ' PRO . . . -53.71 -59.24 4.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.25 43.91 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -111.29 -65.15 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -158.88 25.41 0.36 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.131 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.67 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 5.8 mm -63.53 -66.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.502 0.766 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 86' ' ' ILE . . . 83.79 160.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 89' ' ' ASN . 2.4 tt0 74.43 -10.38 1.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 88' ' ' GLU . 0.8 OUTLIER 157.5 107.17 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.699 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 18.4 Cg_endo -75.05 -29.68 7.89 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.491 1.785 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 1.3 t80 -76.62 149.42 36.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.622 ' CD1' ' HB2' ' A' ' 82' ' ' ALA . 56.9 mt -126.53 107.16 9.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -68.04 69.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -139.55 147.84 53.79 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -5.23 16.53 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.792 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.47 ' O ' ' CE2' ' A' ' 98' ' ' PHE . 0.7 OUTLIER -84.32 -50.61 7.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.34 117.35 5.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.47 ' CE2' ' O ' ' A' ' 96' ' ' ASP . 31.6 m-85 -105.5 129.0 53.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -126.83 134.57 50.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.45 ' CZ ' ' CB ' ' A' ' 73' ' ' GLN . 36.8 p90 -127.29 141.09 51.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.462 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 18.1 m-85 -58.43 146.26 72.88 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 101' ' ' PHE . 18.4 Cg_endo -75.03 62.43 5.88 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -176.96 -39.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.578 1.174 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.5 t -101.66 -171.72 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.941 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.459 ' CA ' ' HB2' ' A' ' 36' ' ' HIS . . . 123.43 -147.81 16.7 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.54 1.15 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -43.97 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.498 1.788 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.68 102.75 12.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.024 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.95 163.05 22.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.998 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.0 p -168.71 89.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 109.999 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.7 p -148.41 155.01 40.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.61 71.52 0.24 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.1 p -172.76 44.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 109.997 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.96 95.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 126.69 -85.84 0.34 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.467 1.105 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.517 ' O ' ' C ' ' A' ' 9' ' ' GLY . 5.9 mp -39.66 -67.95 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.517 ' C ' ' O ' ' A' ' 8' ' ' LEU . . . -28.21 -68.91 0.07 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.14 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.81 -60.25 3.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.905 HD13 ' N ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -47.56 -55.6 8.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.905 ' N ' HD13 ' A' ' 11' ' ' LEU . 40.9 t80 -51.64 -52.83 44.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.555 HD23 ' HE3' ' A' ' 16' ' ' LYS . 20.6 mt -42.87 -38.0 2.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.4 ' C ' ' N ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -68.68 -53.62 21.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.6 mtt -43.84 -25.84 0.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.555 ' HE3' HD23 ' A' ' 13' ' ' LEU . 2.1 mtmp? -66.36 -48.33 70.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.517 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 2.7 t70 -48.64 115.26 4.23 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.85 10.47 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.772 . . . . 0.0 110.973 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -118.23 -54.68 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.345 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -97.0 14.48 25.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.517 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -139.02 -156.74 7.09 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.436 1.085 . . . . 0.0 111.047 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.878 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -74.34 150.47 7.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.523 0.778 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.427 ' HD3' ' N ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -88.7 -174.09 4.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -141.2 85.06 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.328 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.634 HD22 ' N ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -85.75 150.83 24.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -85.61 132.6 34.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.534 HD13 ' CD1' ' A' ' 98' ' ' PHE . 3.1 mt -127.05 119.49 26.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.485 ' OE1' HG22 ' A' ' 33' ' ' VAL . 33.6 tt0 -99.2 133.61 43.24 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.51 1.131 . . . . 0.0 110.266 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.7 tptt -125.76 79.59 1.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.7 t0 51.21 92.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.599 ' O ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER 71.35 -61.37 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -52.69 106.55 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.328 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 31' ' ' LYS . 52.3 t -99.05 83.4 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -72.96 102.01 3.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.69 150.18 20.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 11.6 m170 65.74 57.05 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.603 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 95.6 m -133.41 159.19 41.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 108.324 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.727 ' O ' HG23 ' A' ' 39' ' ' THR . 5.5 mt -116.57 -150.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.737 ' O ' HG13 ' A' ' 43' ' ' VAL . 1.7 p -160.52 127.89 4.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.387 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.411 ' C ' HG22 ' A' ' 43' ' ' VAL . . . -48.23 -26.04 4.52 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.528 1.142 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.457 ' O ' ' NH2' ' A' ' 56' ' ' ARG . 2.3 t -84.42 -43.68 14.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 0.789 . . . . 0.0 110.043 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.68 -43.26 60.45 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.878 ' HA ' HD11 ' A' ' 22' ' ' ILE . 16.2 m -51.46 -54.99 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 0.0 109.347 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.716 ' HA ' HD12 ' A' ' 47' ' ' LEU . 74.6 mt -55.17 -49.44 72.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -46.0 -40.46 10.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.517 ' CG ' HG13 ' A' ' 22' ' ' ILE . 82.4 t90 -67.32 -42.39 83.69 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.716 HD12 ' HA ' ' A' ' 44' ' ' ILE . 72.2 mt -53.1 -49.41 66.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 51' ' ' LYS . 46.9 t -70.33 -48.67 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.09 -50.51 4.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.474 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 13.4 m-80 -78.29 -25.46 46.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 7.5 mmtt 86.22 49.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.544 HD11 HD23 ' A' ' 11' ' ' LEU . 11.1 mt -80.86 -28.62 35.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.486 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 2.5 m -125.22 -172.53 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.7 mtt180 -97.46 -24.36 15.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.247 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -154.33 175.35 13.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.457 ' NH2' ' O ' ' A' ' 41' ' ' SER . 10.6 ttt-85 -64.05 -40.58 96.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 60' ' ' LEU . 5.7 tm0? -49.15 -65.08 0.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.486 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 2.2 mt-10 -40.6 -47.8 2.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -56.35 -40.03 84.35 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.539 1.149 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 57' ' ' GLN . 0.6 OUTLIER -58.22 -47.53 83.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 0.763 . . . . 0.0 109.277 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 26.4 mtm -67.28 -51.85 47.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.1 mm -54.21 -49.33 63.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.571 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 3.4 m -43.52 -50.34 7.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.0 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -50.14 -45.29 52.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.27 -37.98 62.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.741 HD11 HD11 ' A' ' 11' ' ' LEU . 19.9 mt -68.64 -57.72 5.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.78 HD21 ' HB2' ' A' ' 83' ' ' ALA . 11.8 tp -50.13 -55.54 14.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.64 -65.11 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.036 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -45.26 -33.39 2.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 107.52 30.84 3.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.58 ' C ' HD22 ' A' ' 72' ' ' LEU . 21.7 m-85 -85.94 -22.94 27.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.782 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.677 ' O ' HD12 ' A' ' 67' ' ' LEU . 2.9 mm? -119.19 120.42 37.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.424 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . 17.4 mm-40 -97.89 130.64 28.37 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -75.01 126.97 10.3 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.485 1.782 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -118.69 102.05 8.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 133.95 -122.54 3.04 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.461 1.1 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.76 -50.32 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 0.783 . . . . 0.0 109.356 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.615 ' C ' HD23 ' A' ' 78' ' ' LEU . 5.8 tt -47.39 -71.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.5 p -49.09 -24.45 1.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.992 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -51.02 18.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -57.36 -42.03 81.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.561 ' HB2' ' CD1' ' A' ' 92' ' ' LEU . . . -52.61 -59.01 4.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.78 ' HB2' HD21 ' A' ' 67' ' ' LEU . . . -89.21 43.33 1.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.108 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -111.72 -65.06 1.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.422 1.076 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -160.3 25.66 0.3 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.682 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 4.9 mm -65.09 -67.07 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 0.776 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 86' ' ' ILE . . . 84.0 164.33 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER 73.14 -7.0 1.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.256 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.538 ' CB ' ' O ' ' A' ' 88' ' ' GLU . 1.0 OUTLIER 153.65 102.15 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.336 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.527 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 18.5 Cg_endo -74.99 -29.55 8.12 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.508 1.793 . . . . 0.0 111.042 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.571 ' CE2' ' HB3' ' A' ' 63' ' ' SER . 1.5 t80 -79.52 139.37 37.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.561 ' CD1' ' HB2' ' A' ' 82' ' ' ALA . 79.7 mt -117.66 109.7 16.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.44 ' OD1' ' NH1' ' A' ' 56' ' ' ARG . 22.7 t0 -68.38 72.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.55 147.98 35.25 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.985 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.434 ' HA ' ' HB ' ' A' ' 39' ' ' THR . 18.5 Cg_endo -74.96 -4.71 15.81 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.467 1.772 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.437 ' O ' ' CZ ' ' A' ' 98' ' ' PHE . 0.2 OUTLIER -82.71 -48.26 11.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.278 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.84 112.06 3.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.534 ' CD1' HD13 ' A' ' 27' ' ' LEU . 9.5 m-85 -100.77 139.13 36.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -139.59 140.19 36.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 111.05 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.424 ' CE1' ' HB2' ' A' ' 73' ' ' GLN . 33.5 p90 -131.56 146.71 52.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 111.058 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.549 ' CZ ' HD11 ' A' ' 38' ' ' LEU . 12.9 m-85 -65.51 138.16 96.76 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 72.51 4.61 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.511 1.795 . . . . 0.0 110.945 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -177.04 -41.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.41 -80.12 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.021 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 44.28 -169.16 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.469 1.105 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 168.83 23.97 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.455 1.766 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 22.9 t -141.28 148.71 40.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 37.8 p -163.12 130.67 3.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.973 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.437 1.086 . . . . 0.0 111.073 179.982 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 p 60.12 79.0 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 0.747 . . . . 0.0 110.01 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.54 142.76 29.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.01 -154.13 0.05 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.36 40.62 17.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 110.022 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.68 98.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.021 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.21 -81.46 0.24 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 12' ' ' TYR . 5.0 mp -42.78 -47.95 5.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.784 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.497 ' O ' ' CD1' ' A' ' 13' ' ' LEU . . . -36.98 -79.1 0.04 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.429 1.081 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.49 -43.69 8.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 0.785 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.868 HD23 ' C ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -57.07 -50.61 72.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.489 ' N ' ' O ' ' A' ' 8' ' ' LEU . 18.3 t80 -58.66 -48.42 81.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.966 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 9' ' ' GLY . 7.8 mp -46.45 -37.8 8.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.4 OUTLIER -69.97 -52.52 23.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.972 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.523 ' SD ' HD21 ' A' ' 11' ' ' LEU . 8.4 mtt -46.29 -24.91 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.08 -40.64 78.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.491 ' O ' ' CA ' ' A' ' 21' ' ' GLY . 1.1 t0 -58.06 112.74 5.23 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -0.72 10.32 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.524 1.802 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -119.03 -52.68 2.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -98.86 17.19 20.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 17' ' ' ASP . . . -138.64 -154.22 6.39 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.543 1.152 . . . . 0.0 110.963 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.828 HD11 ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -70.59 151.56 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.761 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.55 161.08 15.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.515 ' C ' HD13 ' A' ' 25' ' ' LEU . 34.3 mt-10 -124.48 105.36 9.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.548 HD22 ' N ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -109.52 166.54 10.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 1.016 ' O ' HD13 ' A' ' 27' ' ' LEU . 1.9 p30 -102.93 131.12 50.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.174 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.016 HD13 ' O ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -136.13 139.68 43.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -117.77 99.71 7.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -53.43 -61.1 2.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.173 . . . . 0.0 109.313 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -133.88 -72.81 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -129.1 7.5 5.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.91 114.81 29.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.1 t -85.37 95.35 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -77.16 101.54 6.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -102.06 157.22 17.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 52.65 42.24 31.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.601 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 73.4 m -121.01 -176.73 3.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 108.291 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.734 HD22 ' CG2' ' A' ' 22' ' ' ILE . 0.7 OUTLIER -127.22 -148.92 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.7 HG23 ' O ' ' A' ' 38' ' ' LEU . 2.2 p -159.9 129.19 5.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.4 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 39' ' ' THR . . . -37.29 -55.7 1.54 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.54 1.15 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 t -64.96 -49.71 69.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 45' ' ' ASP . . . -52.25 -51.98 38.88 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.555 1.159 . . . . 0.0 111.044 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.828 ' HA ' HD11 ' A' ' 22' ' ' ILE . 65.6 t -45.44 -50.26 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.57 0.806 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.933 ' HA ' HD12 ' A' ' 47' ' ' LEU . 25.2 mt -69.4 -28.68 39.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 42' ' ' GLY . 7.0 t0 -62.07 -42.83 99.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.543 ' CG ' HG13 ' A' ' 22' ' ' ILE . 81.6 t90 -64.1 -34.27 77.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 108.055 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.933 HD12 ' HA ' ' A' ' 44' ' ' ILE . 23.4 mt -65.67 -53.8 36.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 80.2 t -66.77 -37.93 80.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.69 -47.98 69.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.436 ' O ' ' CB ' ' A' ' 51' ' ' LYS . 12.9 m-80 -82.12 -18.83 41.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.436 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 3.6 mmtt 83.52 42.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.814 HD12 HD23 ' A' ' 47' ' ' LEU . 9.6 mt -71.57 -25.48 62.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 58' ' ' GLU . 2.6 m -130.66 -172.48 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.2 mtt85 -97.89 -27.08 14.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.344 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.409 ' N ' ' ND2' ' A' ' 55' ' ' ASN . 0.5 OUTLIER -152.49 172.05 17.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.65 ' HD2' HG21 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -59.81 -42.41 93.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 58' ' ' GLU . 5.7 tm0? -47.39 -66.41 0.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.492 ' HB3' ' CG1' ' A' ' 53' ' ' VAL . 2.2 mt-10 -38.26 -49.13 1.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.269 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.501 ' HA3' HG23 ' A' ' 44' ' ' ILE . . . -57.51 -47.21 89.89 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.44 HD23 ' HB2' ' A' ' 93' ' ' ASP . 0.5 OUTLIER -44.56 -50.63 9.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.0 109.29 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.443 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 26.5 mtm -64.01 -57.14 10.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 63' ' ' SER . 28.3 mm -50.8 -54.87 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.545 ' HB3' ' CD2' ' A' ' 91' ' ' PHE . 18.8 m -37.47 -50.49 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 61' ' ' MET . . . -47.26 -54.87 9.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.413 ' CB ' HD21 ' A' ' 8' ' ' LEU . 1.3 t -45.72 -44.94 14.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.01 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.648 HD11 HD22 ' A' ' 11' ' ' LEU . 1.5 mm? -63.34 -55.79 21.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.506 HD22 ' O ' ' A' ' 67' ' ' LEU . 0.7 OUTLIER -55.02 -61.78 2.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.46 ' N ' HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -37.9 -66.21 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.02 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -38.69 -38.83 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 67' ' ' LEU . . . 114.4 0.16 23.55 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.402 ' CE2' ' HB3' ' A' ' 8' ' ' LEU . 32.9 m-85 -57.42 -15.88 7.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 0.0 110.977 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.3 mt -132.26 126.07 32.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.509 ' CB ' ' CZ ' ' A' ' 100' ' ' TYR . 19.2 mm-40 -94.89 130.74 32.05 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 138.61 23.16 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.492 1.785 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -137.83 107.6 6.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.93 -108.29 0.51 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -159.18 -52.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 0.777 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.437 HD22 HD23 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -40.88 -79.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.636 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 95.4 p -43.02 -54.57 4.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -45.15 -68.84 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -43.29 -34.58 1.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' A' ' 79' ' ' SER . . . -69.46 -57.25 5.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -50.94 -25.88 5.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.347 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.49 -63.0 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 165.22 59.66 0.02 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.7 mm -77.66 -64.14 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.774 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -152.84 -140.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.29 12.5 36.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -134.15 91.94 22.54 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.441 ' O ' ' CD1' ' A' ' 92' ' ' LEU . 18.3 Cg_endo -74.95 -25.99 11.45 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.537 1.809 . . . . 0.0 111.027 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.571 ' C ' HD12 ' A' ' 92' ' ' LEU . 2.8 t80 -85.45 127.94 34.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.691 HD12 ' N ' ' A' ' 92' ' ' LEU . 1.2 mp -103.12 110.02 21.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.44 ' HB2' HD23 ' A' ' 60' ' ' LEU . 12.5 t70 -70.21 65.48 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.45 149.46 65.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -11.92 21.56 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.587 ' O ' ' CE2' ' A' ' 98' ' ' PHE . 0.8 OUTLIER -73.87 -58.25 3.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -46.13 158.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.587 ' CE2' ' O ' ' A' ' 96' ' ' ASP . 53.8 m-85 -146.74 135.14 21.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 38' ' ' LEU . 88.3 m-85 -133.53 153.73 51.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.974 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.509 ' CZ ' ' CB ' ' A' ' 73' ' ' GLN . 39.0 p90 -144.53 142.52 30.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.402 ' CZ ' ' HB3' ' A' ' 15' ' ' MET . 34.7 m-85 -63.24 149.88 90.3 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 72.82 4.52 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 0.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.9 t0 174.73 -39.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.6 m -116.52 156.93 26.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.998 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 153.31 -161.87 29.93 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 111.037 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 86.46 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.493 1.786 . . . . 0.0 111.012 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.0 m -61.76 119.84 9.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.58 1.175 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.95 -52.65 2.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.517 1.136 . . . . 0.0 110.973 -179.984 . . . . . . . . 0 0 . 1 stop_ save_