data_1ug8_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 1ug8 _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' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -76.27 -13.04 60.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 110.344 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.83 -43.34 72.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -69.5 -39.71 77.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -64.57 -53.68 44.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 111.043 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.488 ' CD1' ' HA ' ' A' ' 45' ' ' ILE . 6.3 tp -57.79 -48.35 83.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.412 ' N ' HG23 ' A' ' 13' ' ' ILE . 2.0 m-20 -51.69 -52.52 47.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -50.32 -38.48 41.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' ILE . 93.8 t -67.86 -49.99 63.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' VAL . 6.8 mm -40.45 -56.31 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -42.2 -52.74 4.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -54.2 -44.79 71.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.463 ' CG2' HD11 ' A' ' 24' ' ' LEU . 29.7 mt -60.45 -56.91 14.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -44.38 -57.37 3.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.57 -52.48 46.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.565 ' CE1' ' HE3' ' A' ' 75' ' ' LYS . 1.0 OUTLIER -55.07 -39.97 69.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.961 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.463 HD11 ' CG2' ' A' ' 20' ' ' ILE . 50.3 mt -67.77 -38.52 83.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -58.54 -59.06 5.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 110.324 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.406 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -49.29 146.25 3.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -92.2 -59.92 1.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.319 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.6 -48.31 19.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.233 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.406 ' CG ' ' HB3' ' A' ' 26' ' ' SER . 23.7 mttt -40.31 126.21 2.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.67 -34.15 5.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 110.331 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.35 136.5 23.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.057 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.503 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 30.2 tp -102.8 153.46 20.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -124.28 118.82 27.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.2 mt -95.94 174.63 6.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.262 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -77.78 152.1 80.07 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 113.63 3.84 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.478 1.778 . . . . 0.0 111.013 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 53.3 m -72.96 165.2 25.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 108.3 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 t -87.39 -32.59 19.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.415 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 169.03 -78.17 0.1 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.441 1.088 . . . . 0.0 111.051 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -49.76 -62.87 1.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.755 . . . . 0.0 110.986 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.409 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 31.7 mt-30 -43.73 -48.43 7.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -47.61 -51.57 20.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 110.273 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -58.11 -39.8 79.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.409 ' CD1' ' HA ' ' A' ' 41' ' ' GLN . 46.2 mt -55.53 -60.27 3.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.488 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 81.9 mt -42.8 -62.34 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -52.1 -43.24 63.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 110.962 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -57.49 -53.14 61.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.3 m -59.31 -62.19 2.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.083 . . . . 0.0 110.379 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.441 HD12 ' CG2' ' A' ' 45' ' ' ILE . 50.5 mt -50.42 -22.92 2.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 1.3 t -54.46 -42.06 70.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.447 1.092 . . . . 0.0 110.023 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 38.1 p-90 -110.57 -31.7 7.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 108.002 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.568 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -60.33 -39.28 86.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.568 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 48.9 m-85 -152.69 79.42 5.89 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -48.97 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.496 1.788 . . . . 0.0 110.938 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.53 121.1 33.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 146.99 -37.14 1.18 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.556 1.16 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.436 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 1.2 pp -128.92 165.35 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 0.761 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.445 ' NE2' ' CD ' ' A' ' 60' ' ' GLU . 1.6 t60 -128.52 111.78 13.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.586 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.5 t -88.85 132.13 34.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.445 ' CD ' ' NE2' ' A' ' 58' ' ' HIS . 6.1 pt-20 -142.75 149.39 38.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 110.404 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.43 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 65.1 mt -69.9 138.32 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.425 HG22 ' NE2' ' A' ' 70' ' ' HIS . 3.0 t -138.21 134.47 44.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.426 HD11 ' N ' ' A' ' 73' ' ' ILE . 3.6 mp -108.44 155.19 9.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.75 162.37 33.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.979 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.565 ' HE3' ' CE1' ' A' ' 23' ' ' PHE . 0.6 OUTLIER -84.6 122.02 28.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.434 HG23 ' CB ' ' A' ' 58' ' ' HIS . 95.3 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.437 ' CB ' HD12 ' A' ' 44' ' ' LEU . 8.3 pt20 -65.3 -23.79 67.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.41 -43.43 83.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -66.78 -44.44 81.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.588 ' CD1' ' OE1' ' A' ' 41' ' ' GLN . 12.5 t80 -62.86 -56.33 18.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.499 ' CD1' ' HA ' ' A' ' 45' ' ' ILE . 4.9 tp -55.51 -54.18 28.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.472 ' N ' ' CG2' ' A' ' 13' ' ' ILE . 48.1 t0 -45.2 -54.12 7.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -49.17 -40.33 32.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 19' ' ' LYS . 90.1 t -68.1 -48.48 74.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.9 mm -41.5 -45.13 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -52.96 -44.24 66.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 16' ' ' VAL . 53.4 mttm -59.24 -47.97 83.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.7 mt -59.98 -59.92 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -45.22 -60.23 2.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -51.28 -49.86 60.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.514 ' CG ' ' HB2' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -56.3 -38.39 71.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 111.049 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.4 mt -70.1 -37.97 75.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -58.34 -47.95 82.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.429 ' CB ' ' HD2' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -61.31 145.62 50.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.023 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -92.42 -58.71 2.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -47.0 -40.07 13.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.429 ' HD2' ' CB ' ' A' ' 26' ' ' SER . 16.9 mttm -53.34 126.93 22.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.56 -34.2 4.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.98 129.75 17.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.954 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.514 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 30.9 tp -97.2 152.4 18.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -124.99 123.41 39.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.4 mt -98.49 175.99 5.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -88.96 151.9 47.71 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 121.23 6.44 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.517 1.798 . . . . 0.0 111.041 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.2 m -87.08 178.31 6.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 108.329 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.0 p -84.7 -23.37 29.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.438 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 148.07 -66.9 0.39 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -43.17 -63.6 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 0.793 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.588 ' OE1' ' CD1' ' A' ' 12' ' ' PHE . 29.3 mm-40 -50.86 -45.54 59.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -44.49 -47.6 10.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -35.36 79.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.437 HD12 ' CB ' ' A' ' 9' ' ' GLN . 38.2 mt -61.33 -42.89 99.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.499 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 88.3 mt -60.6 -49.97 82.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -60.81 -49.9 75.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.5 ' O ' ' CB ' ' A' ' 50' ' ' SER . 1.4 mm-40 -49.59 -53.45 23.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.9 m -58.22 -66.49 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.392 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 78.5 mt -48.2 -24.37 1.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.9 OUTLIER -52.9 -43.19 66.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.01 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.568 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 51.2 p-90 -110.53 -31.94 7.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 108.026 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.568 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -58.77 -53.31 59.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.519 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 88.0 m-85 -139.94 75.93 29.1 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -43.36 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.772 . . . . 0.0 111.019 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.17 120.38 24.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 147.06 -34.47 1.31 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.405 ' CG1' ' HB3' ' A' ' 53' ' ' TYR . 1.3 pp -129.23 164.51 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.758 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.458 ' CB ' HG22 ' A' ' 76' ' ' VAL . 2.2 t60 -125.91 112.42 15.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.619 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.8 t -94.39 133.96 33.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.435 ' OE1' ' NE2' ' A' ' 58' ' ' HIS . 4.1 pt-20 -143.31 146.0 33.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.45 179.945 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.445 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 13.7 mt -70.42 133.55 31.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.422 HG22 ' NE2' ' A' ' 70' ' ' HIS . 3.0 t -130.59 136.94 57.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.429 HD11 ' N ' ' A' ' 73' ' ' ILE . 4.3 mp -111.74 153.24 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.403 ' N ' HG22 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -136.8 161.24 36.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.99 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -83.52 124.89 31.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.458 HG22 ' CB ' ' A' ' 58' ' ' HIS . 92.9 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.8 t0 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -80.51 -14.0 58.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.82 -47.81 10.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -35.39 80.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -68.87 -55.21 11.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.493 ' CD1' ' HA ' ' A' ' 45' ' ' ILE . 4.9 tp -56.7 -48.37 80.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.415 ' N ' HG22 ' A' ' 13' ' ' ILE . 24.8 t0 -51.03 -54.45 24.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -48.02 -40.68 23.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 17' ' ' ILE . 93.8 t -65.88 -50.02 73.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 16' ' ' VAL . 7.2 mm -40.18 -52.99 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -50.31 -53.03 31.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -52.6 -38.74 60.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.5 mt -68.09 -62.74 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -42.63 -57.77 2.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.08 -52.59 50.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.455 ' CG ' ' HB2' ' A' ' 32' ' ' LEU . 1.4 t80 -54.83 -38.91 67.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.1 mt -69.98 -38.75 76.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -59.41 -43.08 93.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.411 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -62.39 146.26 51.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.591 1.182 . . . . 0.0 110.026 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -92.28 -63.64 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 29' ' ' LYS . 1.4 tm-20 -43.38 -48.02 6.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.268 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.411 ' CG ' ' HB3' ' A' ' 26' ' ' SER . 18.2 mttp -40.52 131.22 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.94 -36.72 3.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.99 136.62 24.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.455 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 32.9 tp -103.5 151.39 22.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -124.41 119.0 27.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.286 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.3 mt -97.22 174.03 6.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -73.22 147.0 87.56 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 104.65 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.463 1.77 . . . . 0.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.1 m -63.86 167.79 5.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 108.307 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.6 t -94.25 -14.1 25.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.39 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 152.41 -73.15 0.27 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -57.94 -61.31 2.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 0.733 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.503 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 30.6 mm100 -44.77 -29.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.461 ' HG3' ' CD1' ' A' ' 71' ' ' ILE . 1.4 tpp85 -67.7 -52.19 40.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -58.33 -28.11 64.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.503 ' CD1' ' HA ' ' A' ' 41' ' ' GLN . 58.1 mt -65.34 -52.18 55.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.493 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 94.8 mt -54.96 -52.47 43.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -56.83 -49.06 76.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.5 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -52.7 -53.37 48.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.0 m -58.59 -61.83 2.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 110.36 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.413 HD23 ' CD2' ' A' ' 53' ' ' TYR . 81.2 mt -52.85 -21.17 3.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 1.0 OUTLIER -56.14 -40.92 74.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.979 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 36.1 p-90 -110.85 -32.02 6.98 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.564 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -61.61 -29.79 70.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.358 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.564 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 66.4 m-85 -160.22 83.21 2.16 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -41.09 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.23 112.04 7.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 163.1 -36.75 0.33 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.436 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 1.2 pp -127.66 166.12 25.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 0.778 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.442 ' NE2' ' OE1' ' A' ' 60' ' ' GLU . 1.7 t60 -128.76 114.59 16.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.613 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.0 t -93.32 136.18 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.442 ' OE1' ' NE2' ' A' ' 58' ' ' HIS . 4.4 pt-20 -144.57 146.01 32.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.1 m . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.371 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.442 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.461 ' CD1' ' HG3' ' A' ' 42' ' ' ARG . 30.4 mt -70.97 136.5 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.426 HG21 ' NE2' ' A' ' 70' ' ' HIS . 4.1 t -134.19 136.5 53.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.425 HD11 ' N ' ' A' ' 73' ' ' ILE . 4.1 mp -110.39 152.48 12.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.403 ' N ' HG22 ' A' ' 73' ' ' ILE . 0.3 OUTLIER -136.74 161.46 35.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.025 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -80.97 125.42 30.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.425 HG23 ' CB ' ' A' ' 58' ' ' HIS . 90.6 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.465 ' CB ' HD13 ' A' ' 44' ' ' LEU . 9.0 pt20 -68.38 -32.28 72.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.259 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -41.99 61.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -70.25 -39.99 74.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -64.59 -54.96 23.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 45' ' ' ILE . 7.9 tp -55.72 -50.34 68.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.415 ' N ' ' CG2' ' A' ' 13' ' ' ILE . 0.6 OUTLIER -49.36 -55.67 12.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -46.75 -40.66 13.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 99.1 t -67.32 -48.6 77.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.1 mm -40.85 -49.58 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -52.75 -53.76 43.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -51.29 -41.76 60.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.431 ' O ' ' C ' ' A' ' 21' ' ' GLU . 7.7 mt -64.39 -58.99 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 20' ' ' ILE . 6.0 mm-40 -35.86 -64.92 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.423 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 3.8 t0 -46.85 -59.25 3.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.561 ' CE2' HG22 ' A' ' 73' ' ' ILE . 2.4 t80 -48.88 -22.02 0.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.14 . . . . 0.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.418 HD11 ' CG2' ' A' ' 20' ' ' ILE . 23.1 mt -93.43 -32.74 14.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 22' ' ' ASP . 0.7 OUTLIER -77.47 -12.18 59.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.05 150.59 20.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.991 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.18 -66.67 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -42.53 -51.47 5.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -41.21 125.57 2.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.2 -35.32 4.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.14 126.58 14.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.021 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.513 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 31.6 tp -93.05 149.37 21.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -126.02 117.79 23.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 25.9 mt -94.08 177.32 6.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -83.57 153.18 64.78 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 119.11 5.5 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.494 1.786 . . . . 0.0 111.029 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 58.8 m -88.99 170.77 10.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 108.304 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.1 p -74.82 -51.95 12.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.422 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 176.17 -55.99 0.11 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.555 1.159 . . . . 0.0 110.959 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -54.72 -62.47 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 0.778 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.468 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 30.9 mm100 -49.26 -48.24 46.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.8 ttp85 -46.78 -46.83 20.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -62.4 -36.78 83.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 41' ' ' GLN . 44.5 mt -59.26 -52.01 67.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.449 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 96.6 mt -51.27 -52.18 20.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.4 ' OH ' ' OG1' ' A' ' 61' ' ' THR . 31.8 m-85 -63.65 -34.99 79.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.78 -38.59 86.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.323 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.404 ' C ' ' N ' ' A' ' 50' ' ' SER . 3.3 m -76.4 -65.7 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 110.416 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.1 mt -49.22 -23.75 1.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.404 ' N ' ' C ' ' A' ' 48' ' ' THR . 0.1 OUTLIER -54.3 -41.32 68.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.982 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.43 ' CZ3' ' CG ' ' A' ' 52' ' ' LYS . 47.5 p-90 -110.75 -31.87 7.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 108.006 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.562 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -59.16 -37.24 76.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.103 . . . . 0.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.562 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 66.1 m-85 -155.05 80.8 4.29 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -52.07 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.535 1.808 . . . . 0.0 110.971 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.82 110.36 15.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.47 -35.61 0.43 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.12 . . . . 0.0 111.038 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.2 pp -131.16 164.94 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.764 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.45 ' NE2' ' OE1' ' A' ' 60' ' ' GLU . 2.7 t60 -126.47 112.85 16.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.558 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.2 t -92.59 134.72 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.45 ' OE1' ' NE2' ' A' ' 58' ' ' HIS . 1.6 pt-20 -144.68 145.17 31.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.253 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.4 ' OG1' ' OH ' ' A' ' 46' ' ' TYR . 1.8 m . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.404 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.416 ' NE2' HG22 ' A' ' 72' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 45.6 mt -77.19 138.61 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.416 HG22 ' NE2' ' A' ' 70' ' ' HIS . 2.6 t -137.34 137.16 46.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.561 HG22 ' CE2' ' A' ' 23' ' ' PHE . 4.0 mp -108.74 153.22 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.8 159.81 40.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.98 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.439 ' CE ' ' O ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -85.06 123.47 30.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 85.0 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -68.02 -22.2 64.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -44.34 84.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -67.87 -43.59 79.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -62.69 -55.8 23.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.49 ' CD1' ' HA ' ' A' ' 45' ' ' ILE . 4.9 tp -54.98 -48.67 75.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.41 ' N ' HG23 ' A' ' 13' ' ' ILE . 1.7 t70 -51.69 -55.11 21.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -46.62 -38.89 10.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.1 t -69.12 -46.95 77.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.2 mm -43.04 -52.71 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -48.02 -53.96 14.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.265 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -49.47 -44.7 46.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.463 ' CG2' HD11 ' A' ' 24' ' ' LEU . 35.9 mt -64.71 -61.06 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -38.51 -57.18 1.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.32 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -52.14 -52.52 51.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.499 ' CG ' ' HB2' ' A' ' 32' ' ' LEU . 2.6 t80 -58.46 -26.3 63.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.463 HD11 ' CG2' ' A' ' 20' ' ' ILE . 38.7 mt -85.26 -14.41 46.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -95.18 -15.58 23.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.27 117.63 23.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.999 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -69.7 -36.27 75.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 110.245 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.18 -55.02 7.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.123 . . . . 0.0 110.256 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -47.15 131.39 12.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -113.1 -26.68 8.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 110.275 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.26 158.6 43.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.499 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 40.4 tp -122.04 161.82 22.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -132.88 118.44 18.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.9 mt -97.07 163.87 12.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.94 149.19 92.39 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 99.81 1.29 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.424 1.749 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 58.7 m -65.52 -179.05 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 108.301 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 43.4 p -88.75 -51.37 5.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.392 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -178.8 -61.66 0.07 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.531 1.145 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.468 ' O ' ' CG ' ' A' ' 43' ' ' LYS . 24.0 t80 -58.7 -64.31 0.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 0.733 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.458 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 35.7 mt-30 -48.2 -28.02 2.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.411 ' CG ' HD12 ' A' ' 71' ' ' ILE . 15.8 ttp180 -65.35 -50.2 66.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 40' ' ' PHE . 5.5 ptpt -60.55 -29.01 68.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.458 ' CD1' ' HA ' ' A' ' 41' ' ' GLN . 49.3 mt -65.5 -47.59 75.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.49 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 96.6 mt -56.53 -48.16 80.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.444 ' CE1' HG12 ' A' ' 59' ' ' VAL . 21.7 m-85 -64.15 -53.8 43.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.969 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.505 ' O ' ' CB ' ' A' ' 50' ' ' SER . 2.1 mt-30 -49.38 -52.01 31.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.346 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.403 ' C ' ' N ' ' A' ' 50' ' ' SER . 10.3 m -57.12 -67.37 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.397 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.404 HD21 ' CD1' ' A' ' 20' ' ' ILE . 82.1 mt -48.72 -24.11 1.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.5 OUTLIER -54.22 -41.08 68.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.994 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.404 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 41.9 p-90 -110.64 -31.87 7.08 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.575 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -61.38 -33.99 74.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.575 ' CD1' ' HB3' ' A' ' 52' ' ' LYS . 80.5 m-85 -154.91 81.01 4.31 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -37.61 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.486 1.782 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -137.56 117.53 13.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 152.4 -36.34 0.81 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.118 . . . . 0.0 111.007 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.458 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 1.1 pp -130.79 164.09 34.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.361 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -130.42 104.84 7.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.557 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.444 HG12 ' CE1' ' A' ' 46' ' ' TYR . 24.0 t -77.0 124.8 36.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.35 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -132.77 149.34 52.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.354 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.459 ' NE2' ' CG2' ' A' ' 72' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.411 HD12 ' CG ' ' A' ' 42' ' ' ARG . 39.1 mt -76.94 142.73 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.459 ' CG2' ' NE2' ' A' ' 70' ' ' HIS . 9.1 t -138.38 137.85 43.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.53 ' N ' ' CD1' ' A' ' 73' ' ' ILE . 2.2 mp -111.58 113.34 43.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.3 t -97.77 153.06 18.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.997 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.464 ' HG3' ' CZ ' ' A' ' 23' ' ' PHE . 10.8 mtpt -76.73 129.85 36.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 52.6 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.353 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.408 ' OE1' ' NE2' ' A' ' 41' ' ' GLN . 19.7 mm-40 -77.0 -29.29 55.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -46.36 90.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.86 -48.01 78.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.562 ' CD1' ' OE1' ' A' ' 41' ' ' GLN . 26.5 t80 -57.49 -61.95 2.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 111.042 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.489 ' CD1' ' HA ' ' A' ' 45' ' ' ILE . 5.1 tp -48.07 -43.33 11.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.426 ' N ' HG22 ' A' ' 13' ' ' ILE . 0.5 OUTLIER -60.4 -53.25 59.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -50.53 -23.45 2.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.5 t -84.52 -43.52 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.3 mm -47.58 -58.43 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -43.0 -52.91 5.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -52.62 -42.07 64.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.5 mt -66.21 -62.8 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -42.96 -49.12 6.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.277 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -56.82 -48.7 77.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.519 ' CG ' ' HB2' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -61.32 -38.64 87.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.4 mt -72.67 -21.72 61.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -75.28 -43.41 51.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.0 149.73 46.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.969 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -92.07 -58.16 2.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -47.72 -53.15 15.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -40.91 135.97 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.24 -39.9 3.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -146.3 137.96 24.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.984 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.519 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 15.7 tp -103.36 155.94 18.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -131.46 118.28 19.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.241 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 28.4 mt -89.13 175.73 7.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -81.9 154.69 70.43 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 115.08 4.18 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.525 1.803 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 63.4 m -80.99 167.87 19.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 108.293 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.2 p -75.84 -36.21 59.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.371 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 162.41 -64.63 0.26 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -48.29 -62.93 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.562 ' OE1' ' CD1' ' A' ' 12' ' ' PHE . 17.1 mm-40 -51.79 -35.58 44.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.475 ' HG2' ' CE2' ' A' ' 46' ' ' TYR . 29.1 ttp180 -53.71 -47.73 70.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.443 ' HG2' ' N ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -67.87 -29.38 68.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.494 ' CD1' ' HA ' ' A' ' 41' ' ' GLN . 70.4 mt -65.38 -51.61 59.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.489 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 95.5 mt -53.3 -47.05 57.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.475 ' CE2' ' HG2' ' A' ' 42' ' ' ARG . 20.7 m-85 -63.91 -55.02 25.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -48.28 -53.17 18.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.419 ' HA ' ' NE1' ' A' ' 51' ' ' TRP . 29.9 m -56.59 -67.24 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.418 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 70.5 mt -48.7 -24.33 1.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.5 OUTLIER -54.83 -39.61 68.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.968 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.419 ' NE1' ' HA ' ' A' ' 48' ' ' THR . 42.8 p-90 -110.78 -32.01 7.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 108.018 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.576 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -61.95 -34.24 75.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.576 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 75.2 m-85 -155.56 81.23 3.98 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -45.61 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.64 120.42 25.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 148.95 -34.3 1.12 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.4 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 1.4 pp -131.66 167.53 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -131.27 104.34 6.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.599 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.5 t -78.53 112.91 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.36 150.46 34.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.257 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.403 ' OG1' ' OH ' ' A' ' 46' ' ' TYR . 73.0 m . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.393 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 89.6 mt -70.47 136.11 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 19.4 t -131.61 139.28 51.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.43 ' N ' ' CD1' ' A' ' 73' ' ' ILE . 3.5 mp -112.38 121.24 64.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.4 t -109.03 150.13 28.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.97 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -73.34 129.07 37.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 96.9 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 109.336 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.43 ' CG ' HD13 ' A' ' 44' ' ' LEU . 4.0 mp0 -68.56 -42.3 78.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -32.64 62.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -72.45 -60.23 2.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.571 ' CE2' ' HG2' ' A' ' 41' ' ' GLN . 7.6 t80 -49.62 -53.39 24.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.491 ' CD1' ' HA ' ' A' ' 45' ' ' ILE . 5.6 tp -55.36 -51.57 55.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.438 ' N ' ' CG2' ' A' ' 13' ' ' ILE . 0.4 OUTLIER -49.43 -55.86 11.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -45.79 -40.59 9.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 19' ' ' LYS . 92.7 t -68.27 -49.06 70.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.6 mm -40.87 -42.17 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -58.79 -47.35 85.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 16' ' ' VAL . 8.0 mttm -55.91 -39.7 71.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.462 HG23 ' CD1' ' A' ' 24' ' ' LEU . 18.5 mt -70.51 -62.56 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 20' ' ' ILE . 8.1 mm-40 -38.25 -57.73 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.89 -51.82 62.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.517 ' CG ' ' HB2' ' A' ' 32' ' ' LEU . 2.4 t80 -57.09 -27.01 61.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.462 ' CD1' HG23 ' A' ' 20' ' ' ILE . 17.1 mt -86.0 -15.95 39.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -81.26 -35.41 31.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.78 145.2 47.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.981 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.6 -36.04 13.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.26 -48.83 66.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -49.77 129.34 19.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -115.49 -33.85 5.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.339 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.18 129.21 16.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.517 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 32.4 tp -96.55 162.09 13.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -129.08 114.3 16.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.9 mt -88.71 161.49 16.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -72.97 151.4 90.65 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 109.67 2.97 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.484 1.781 . . . . 0.0 111.049 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 95.0 m -74.18 168.09 20.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 108.272 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.1 p -79.07 -44.84 21.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.38 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -179.43 -62.77 0.07 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.549 1.155 . . . . 0.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.421 ' O ' ' CG ' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -57.19 -66.04 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 0.74 . . . . 0.0 110.976 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.571 ' HG2' ' CE2' ' A' ' 12' ' ' PHE . 6.2 mp0 -42.42 -43.11 3.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.323 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.74 -51.7 59.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -66.93 -28.96 68.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.525 ' CD1' ' HA ' ' A' ' 41' ' ' GLN . 67.5 mt -65.07 -53.94 37.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.491 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 97.2 mt -50.37 -52.44 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.43 ' CE1' HG13 ' A' ' 59' ' ' VAL . 24.4 m-85 -59.47 -49.87 76.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.435 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.2 OUTLIER -49.85 -52.44 32.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.268 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.5 m -61.07 -64.24 1.02 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 110.344 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.437 HD21 ' CD1' ' A' ' 20' ' ' ILE . 86.6 mt -48.41 -24.24 1.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.4 OUTLIER -54.21 -40.96 68.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 109.98 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.45 ' CZ3' ' CG ' ' A' ' 52' ' ' LYS . 46.1 p-90 -110.99 -32.03 6.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 108.014 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.569 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -57.84 -42.12 83.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.569 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 79.7 m-85 -151.96 79.85 6.22 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -43.04 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.499 1.789 . . . . 0.0 111.004 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.83 108.8 10.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.08 -33.49 0.43 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.468 1.105 . . . . 0.0 110.962 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.44 ' C ' ' CG2' ' A' ' 76' ' ' VAL . 1.5 pp -133.79 164.07 35.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 0.79 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.436 ' HB2' ' CG2' ' A' ' 76' ' ' VAL . 12.0 t60 -128.28 102.09 6.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.563 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.43 HG13 ' CE1' ' A' ' 46' ' ' TYR . 39.2 t -78.36 111.73 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.418 ' HB3' ' NE2' ' A' ' 58' ' ' HIS . 17.4 pt-20 -114.54 154.17 28.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.1 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.39 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.435 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.597 -0.519 . . . . 0.0 109.597 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 94.9 mt -76.65 143.34 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.264 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.414 HG23 ' NE2' ' A' ' 70' ' ' HIS . 3.0 t -138.42 130.38 38.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.541 ' N ' ' CD1' ' A' ' 73' ' ' ILE . 2.1 mp -102.29 111.98 33.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.9 m -110.99 131.51 54.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -53.56 142.86 21.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.44 ' CG2' ' C ' ' A' ' 57' ' ' ILE . 91.2 t . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 41.1 t0 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -69.9 -27.02 64.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -53.32 -42.08 66.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -68.5 -39.17 81.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.406 ' CZ ' ' HB3' ' A' ' 41' ' ' GLN . 9.9 t80 -65.7 -55.64 16.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.466 ' CD1' ' HA ' ' A' ' 45' ' ' ILE . 6.6 tp -55.93 -49.34 75.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.408 ' N ' HG21 ' A' ' 13' ' ' ILE . 11.4 t70 -50.4 -54.78 19.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -47.5 -40.39 18.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.469 HG12 ' CD2' ' A' ' 34' ' ' LEU . 98.4 t -67.09 -49.6 71.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 16' ' ' VAL . 7.5 mm -40.68 -49.17 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -52.28 -51.02 60.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -55.51 -38.47 69.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.432 ' O ' ' C ' ' A' ' 21' ' ' GLU . 10.3 mt -66.93 -58.73 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 20' ' ' ILE . 1.2 mt-10 -36.28 -64.83 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 25' ' ' GLN . 10.1 t0 -46.51 -58.98 3.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.505 ' CE2' HG21 ' A' ' 73' ' ' ILE . 1.2 t80 -49.39 -22.17 1.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.1 mt -93.65 -28.39 16.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 22' ' ' ASP . 0.6 OUTLIER -83.5 -13.55 54.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -90.42 140.76 29.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.995 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.6 pt-20 -88.81 -37.83 15.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 29' ' ' LYS . 4.0 mt-10 -67.23 -54.84 17.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 28' ' ' GLU . 26.4 mttt -40.16 127.18 2.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -116.39 -33.16 5.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 110.34 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.32 123.34 11.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.993 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.481 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 20.5 tp -88.79 147.17 24.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.071 . . . . 0.0 109.354 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -124.42 117.22 23.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.469 ' CD2' HG12 ' A' ' 16' ' ' VAL . 31.0 mt -96.15 174.82 6.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -83.42 150.03 59.29 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 123.43 7.91 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.525 1.802 . . . . 0.0 110.973 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 87.2 m -90.1 157.1 17.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 108.349 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.9 t -65.85 -25.77 67.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.375 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 151.53 -48.73 0.55 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.111 . . . . 0.0 111.042 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.86 -64.45 0.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 0.772 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.406 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -50.75 -31.35 16.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.417 ' CG ' HD11 ' A' ' 71' ' ' ILE . 8.6 ttp180 -59.71 -52.13 66.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 110.256 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.24 -35.09 71.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 109.344 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.7 mt -59.71 -60.93 3.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.466 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 97.4 mt -43.28 -55.08 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.45 ' CE1' HG13 ' A' ' 59' ' ' VAL . 31.7 m-85 -62.02 -34.3 75.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -66.82 -36.53 82.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.406 HG21 ' CG ' ' A' ' 52' ' ' LYS . 3.7 m -78.89 -65.22 1.02 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.406 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.418 HD12 ' CG2' ' A' ' 45' ' ' ILE . 64.6 mt -48.47 -24.31 1.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.5 -42.06 66.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.993 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.417 ' CZ3' ' CG ' ' A' ' 52' ' ' LYS . 47.1 p-90 -110.61 -31.58 7.18 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.569 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -59.37 -38.37 80.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.251 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.569 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 64.9 m-85 -152.75 80.24 5.64 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -41.16 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.496 1.788 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.33 113.13 11.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.09 -32.43 0.55 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.3 pp -132.03 166.91 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -128.37 111.67 13.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.591 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.45 HG13 ' CE1' ' A' ' 46' ' ' TYR . 26.3 t -91.01 131.55 37.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -141.64 151.23 42.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 98.3 m . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.425 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.425 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.417 HD11 ' CG ' ' A' ' 42' ' ' ARG . 92.1 mt -69.36 134.71 29.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.42 HG21 ' NE2' ' A' ' 70' ' ' HIS . 2.9 t -133.79 136.81 53.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.505 HG21 ' CE2' ' A' ' 23' ' ' PHE . 4.1 mp -110.08 153.61 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.75 161.67 35.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -83.76 124.25 30.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.8 t . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 t70 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.33 -36.6 58.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.354 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.25 -41.07 49.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -68.6 -45.47 71.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.451 ' CE2' ' HG2' ' A' ' 41' ' ' GLN . 15.8 t80 -57.71 -57.63 11.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.476 ' CD1' ' HA ' ' A' ' 45' ' ' ILE . 4.8 tp -53.18 -43.84 50.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.355 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.417 ' N ' HG22 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -55.7 -57.03 13.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -45.17 -37.64 4.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.263 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.6 t -68.72 -49.12 67.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.1 mm -42.27 -46.37 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -52.5 -49.57 64.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -56.6 -47.69 79.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.443 ' CG2' HD13 ' A' ' 24' ' ' LEU . 5.7 mt -59.2 -63.85 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -39.29 -54.76 1.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -54.81 -53.0 60.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.518 ' CG ' ' HB2' ' A' ' 32' ' ' LEU . 1.1 t80 -55.05 -37.4 66.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.443 HD13 ' CG2' ' A' ' 20' ' ' ILE . 27.2 mt -70.42 -34.73 72.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -63.73 -47.65 80.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.32 145.55 31.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.036 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.43 -54.42 3.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -51.53 -51.12 57.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.355 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 28' ' ' GLU . 19.1 mttt -40.25 129.42 2.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -117.17 -35.61 4.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.3 124.76 12.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.981 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.518 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 21.3 tp -91.58 151.86 20.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.244 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -126.11 118.94 26.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.341 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.7 mt -94.0 173.56 7.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.16 153.0 66.05 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.97 4.74 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.525 1.803 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 85.9 m -82.79 175.81 9.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 108.271 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.0 p -81.83 -39.3 24.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.36 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 165.51 -61.67 0.23 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -50.72 -63.89 0.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 111.048 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.477 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 0.3 OUTLIER -48.69 -43.84 37.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.266 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.401 ' CD ' HD11 ' A' ' 71' ' ' ILE . 2.0 tpp180 -47.85 -46.29 31.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.438 ' HG2' ' N ' ' A' ' 44' ' ' LEU . 0.7 OUTLIER -69.12 -27.84 65.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.477 ' CD1' ' HA ' ' A' ' 41' ' ' GLN . 61.0 mt -69.27 -46.69 66.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.476 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 88.2 mt -57.91 -42.38 82.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -68.25 -57.54 5.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.112 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.495 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -45.01 -53.04 8.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.137 . . . . 0.0 110.281 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.427 ' C ' ' N ' ' A' ' 50' ' ' SER . 3.4 m -56.75 -70.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.383 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 93.0 mt -45.81 -25.84 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.4 OUTLIER -53.62 -40.52 65.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.052 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.437 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 43.6 p-90 -111.11 -32.15 6.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 108.008 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.578 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -60.78 -34.81 75.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.578 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 78.5 m-85 -155.83 81.63 3.81 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -39.34 1.26 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.514 1.797 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.97 115.29 12.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 155.57 -37.37 0.63 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.412 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 1.3 pp -128.46 162.52 34.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.45 ' NE2' ' CD ' ' A' ' 60' ' ' GLU . 2.0 t60 -125.45 111.99 15.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.587 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 41.0 t -90.46 130.26 39.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.45 ' CD ' ' NE2' ' A' ' 58' ' ' HIS . 5.9 pt-20 -141.27 147.1 37.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 23.5 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.35 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.439 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.401 HD11 ' CD ' ' A' ' 42' ' ' ARG . 28.9 mt -71.54 135.99 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.421 HG22 ' NE2' ' A' ' 70' ' ' HIS . 2.9 t -134.04 137.29 52.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.428 ' N ' HD12 ' A' ' 73' ' ' ILE . 4.1 mp -110.2 153.5 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.77 159.74 40.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.956 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -82.11 122.94 28.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.441 HG22 ' CB ' ' A' ' 58' ' ' HIS . 93.6 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 t0 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.471 ' CB ' HD11 ' A' ' 44' ' ' LEU . 10.5 pt20 -68.33 -25.11 64.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -38.83 71.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.6 mttt -72.87 -39.88 66.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.068 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.445 ' CE2' ' HG2' ' A' ' 41' ' ' GLN . 9.5 t80 -63.73 -54.24 38.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.419 ' CG2' ' N ' ' A' ' 14' ' ' ASP . 7.2 tp -55.57 -50.93 63.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.419 ' N ' ' CG2' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -49.43 -56.34 10.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.275 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -46.44 -39.52 10.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.296 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' ILE . 89.9 t -68.93 -48.08 72.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' VAL . 8.2 mm -40.53 -49.55 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -50.74 -56.5 11.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -51.05 -45.64 61.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.47 ' CG2' HD12 ' A' ' 24' ' ' LEU . 29.7 mt -58.53 -55.96 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -50.98 -57.74 7.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -48.64 -45.74 38.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.562 ' CE1' ' HE3' ' A' ' 75' ' ' LYS . 0.9 OUTLIER -63.66 -43.07 97.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.967 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.47 HD12 ' CG2' ' A' ' 20' ' ' ILE . 27.2 mt -65.68 -33.13 75.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -59.4 -54.75 43.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.31 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.55 147.52 21.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -92.51 -65.31 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -41.15 -44.65 2.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.1 mttm -40.17 132.99 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.02 -38.47 3.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.78 137.09 24.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.987 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.514 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 17.1 tp -104.26 154.97 19.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -122.59 124.22 42.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.4 mt -100.19 171.39 7.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -78.05 152.33 79.47 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 118.11 5.15 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.543 1.812 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 33.7 m -82.38 157.41 23.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 108.286 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.04 -24.55 58.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.397 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 153.34 -65.52 0.34 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.466 1.104 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -52.26 -63.45 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.445 ' HG2' ' CE2' ' A' ' 12' ' ' PHE . 1.3 mp0 -48.25 -42.46 30.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.72 -53.01 20.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.3 mttt -57.91 -40.94 81.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.471 HD11 ' CB ' ' A' ' 9' ' ' GLN . 32.4 mt -52.79 -55.4 23.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.409 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 96.8 mt -47.85 -59.74 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.404 ' OH ' ' OG1' ' A' ' 61' ' ' THR . 20.5 m-85 -55.34 -37.57 67.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.39 -48.3 80.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.433 ' CG2' ' HG3' ' A' ' 52' ' ' LYS . 2.3 m -66.96 -59.37 3.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.333 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.6 mt -50.89 -22.3 2.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.1 -41.93 72.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.505 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 48.1 p-90 -110.61 -31.93 7.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 107.997 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.572 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -59.91 -37.53 79.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.572 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 52.8 m-85 -158.44 79.96 3.03 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -45.37 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.48 1.779 . . . . 0.0 111.004 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.2 120.12 24.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 148.71 -32.45 1.2 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.417 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 1.3 pp -132.11 162.04 40.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 0.76 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.462 ' C ' ' CD2' ' A' ' 58' ' ' HIS . 1.6 t60 -125.93 113.94 17.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.633 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.5 t -94.31 125.42 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.69 151.96 49.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.404 ' OG1' ' OH ' ' A' ' 46' ' ' TYR . 47.4 m . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.425 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.469 ' NE2' ' CG2' ' A' ' 72' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.8 mt -74.59 141.81 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.469 ' CG2' ' NE2' ' A' ' 70' ' ' HIS . 4.2 t -138.22 135.66 44.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.426 1.079 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.44 HD13 ' N ' ' A' ' 73' ' ' ILE . 3.6 mp -108.77 148.07 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 t -136.25 157.35 47.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 110.0 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.562 ' HE3' ' CE1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -80.67 125.82 30.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.3 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.2 t70 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -86.04 -15.79 40.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -40.95 91.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -70.25 -40.12 74.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.441 ' CD1' ' N ' ' A' ' 13' ' ' ILE . 1.9 t80 -63.74 -53.54 49.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.441 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 6.6 tp -57.93 -48.67 83.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.41 ' N ' HG22 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -51.14 -53.14 37.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -50.29 -38.55 41.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.319 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 17' ' ' ILE . 88.7 t -67.93 -50.13 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 16' ' ' VAL . 5.9 mm -40.12 -51.69 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -49.48 -49.13 46.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 110.271 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -56.56 -47.71 78.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.474 ' CG2' HD12 ' A' ' 24' ' ' LEU . 69.1 mt -61.54 -66.96 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 20' ' ' ILE . 4.4 mm-40 -38.81 -51.34 1.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.239 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -57.3 -50.33 73.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.52 ' CG ' ' HB2' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -59.2 -35.16 73.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.474 HD12 ' CG2' ' A' ' 20' ' ' ILE . 36.6 mt -75.68 -25.98 57.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -69.48 -45.52 68.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.295 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 t -60.79 144.3 52.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.996 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -90.54 -39.7 12.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.322 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -66.37 -54.34 25.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 110.259 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -40.37 128.34 2.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -111.95 -34.67 5.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.37 144.66 30.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.52 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 37.5 tp -114.08 153.72 28.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -125.5 116.39 21.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.427 ' CD1' HD13 ' A' ' 73' ' ' ILE . 27.3 mt -85.48 175.5 8.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -78.2 157.13 78.63 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.353 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 117.49 4.93 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.526 1.803 . . . . 0.0 110.972 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 61.7 m -83.45 169.26 15.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 108.331 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.97 -33.29 14.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.371 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 164.29 -64.14 0.24 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.5 -63.28 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 44' ' ' LEU . 10.5 mt-30 -45.74 -52.37 11.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.278 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 50.2 ttp85 -42.02 -53.47 3.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.347 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.88 -38.45 70.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 41' ' ' GLN . 33.2 mt -60.66 -60.2 4.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 92.8 mt -42.92 -58.49 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.522 ' CE1' HG12 ' A' ' 59' ' ' VAL . 22.2 m-85 -56.48 -40.38 74.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.1 OUTLIER -60.45 -54.0 50.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.413 HG21 ' CG1' ' A' ' 13' ' ' ILE . 3.2 m -58.74 -59.19 5.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.39 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.461 HD23 ' CD1' ' A' ' 20' ' ' ILE . 76.1 mt -53.74 -20.13 5.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 1.3 t -57.96 -39.56 78.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 110.012 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.475 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 42.3 p-90 -111.88 -32.68 6.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 108.006 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.563 ' HB3' ' CE2' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -60.15 -31.24 69.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.563 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 64.4 m-85 -158.0 82.1 2.92 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -46.44 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.533 1.807 . . . . 0.0 110.965 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.15 117.21 18.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 154.78 -38.86 0.65 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.526 1.142 . . . . 0.0 111.011 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.502 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 1.1 pp -129.2 168.49 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.256 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.439 ' C ' ' CD2' ' A' ' 58' ' ' HIS . 1.9 t60 -134.23 109.58 8.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.574 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.522 HG12 ' CE1' ' A' ' 46' ' ' TYR . 56.8 t -82.25 125.05 39.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.43 1.081 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.409 ' OE1' ' CD2' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -135.99 146.63 47.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 13.2 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.419 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.499 ' NE2' ' CG2' ' A' ' 72' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 38.6 mt -75.16 141.8 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.258 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.499 ' CG2' ' NE2' ' A' ' 70' ' ' HIS . 3.7 t -138.46 146.86 25.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.545 ' N ' ' CD1' ' A' ' 73' ' ' ILE . 2.0 mp -119.21 122.48 69.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.7 t -108.87 153.57 23.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.991 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.37 128.09 33.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.418 HG21 ' N ' ' A' ' 58' ' ' HIS . 92.6 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.471 ' CB ' HD11 ' A' ' 44' ' ' LEU . 20.4 pt20 -66.23 -29.75 70.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -36.18 61.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.4 mmtt -76.1 -39.86 54.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.533 ' CE2' ' HG2' ' A' ' 41' ' ' GLN . 9.4 t80 -62.62 -53.81 49.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.454 ' CG2' ' N ' ' A' ' 14' ' ' ASP . 6.4 tp -54.68 -53.01 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.454 ' N ' ' CG2' ' A' ' 13' ' ' ILE . 1.0 OUTLIER -49.35 -54.25 18.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -48.56 -37.07 16.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.293 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 19' ' ' LYS . 96.6 t -72.32 -48.58 47.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 16' ' ' VAL . 9.3 mm -40.19 -46.37 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -52.09 -48.77 64.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 16' ' ' VAL . 21.6 mttt -56.67 -44.9 81.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.3 mt -62.11 -63.66 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.165 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -38.68 -56.25 1.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -54.52 -53.58 52.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.522 ' CG ' ' HB2' ' A' ' 32' ' ' LEU . 1.3 t80 -53.87 -36.18 62.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.6 mt -72.3 -40.41 67.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -56.55 -51.32 69.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.255 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.401 ' CB ' ' HD2' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -54.99 146.78 16.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.0 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -92.27 -57.14 2.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -49.17 -50.97 35.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.401 ' HD2' ' CB ' ' A' ' 26' ' ' SER . 22.3 mttp -40.3 126.05 2.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.8 mmt-85 -115.89 -33.58 5.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.122 . . . . 0.0 110.289 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.06 129.39 16.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.522 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 34.2 tp -97.17 151.49 19.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -127.93 120.69 28.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.356 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 26.6 mt -91.96 175.93 6.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.282 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -86.64 152.72 54.79 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 110.61 3.15 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.525 1.803 . . . . 0.0 110.949 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.4 p -86.76 -168.55 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 108.324 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.414 ' OG1' ' N ' ' A' ' 39' ' ' GLY . 31.1 p -85.1 -62.24 1.58 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.443 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.414 ' N ' ' OG1' ' A' ' 38' ' ' THR . . . -178.39 -63.47 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -41.04 -61.91 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 0.0 111.013 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.533 ' HG2' ' CE2' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -49.29 -47.49 46.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -43.96 -50.34 8.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -60.44 -39.73 88.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.471 HD11 ' CB ' ' A' ' 9' ' ' GLN . 28.6 mt -59.61 -48.26 82.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 67.0 mt -53.49 -57.53 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -57.76 -42.85 84.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.483 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.4 OUTLIER -57.39 -52.43 65.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.448 HG21 ' CG1' ' A' ' 13' ' ' ILE . 2.3 m -59.73 -63.04 1.44 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.137 . . . . 0.0 110.391 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.4 mt -49.52 -23.36 1.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 1.0 OUTLIER -54.37 -41.9 69.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.523 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 48.7 p-90 -110.77 -32.28 6.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 107.98 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.57 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -59.02 -36.99 75.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.57 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 58.8 m-85 -156.69 79.51 3.78 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -38.29 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.485 1.781 . . . . 0.0 111.033 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.31 117.79 14.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 151.96 -36.99 0.82 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.477 1.11 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.47 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 1.1 pp -129.47 165.95 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.459 ' CB ' HG23 ' A' ' 76' ' ' VAL . 1.6 t60 -126.99 118.24 24.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.613 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 62.1 t -97.11 133.39 38.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.448 ' OE1' ' NE2' ' A' ' 58' ' ' HIS . 2.4 pt-20 -142.09 139.78 32.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.359 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.567 ' CE1' ' CG2' ' A' ' 72' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.406 HG22 ' N ' ' A' ' 72' ' ' VAL . 72.1 mt -86.31 141.22 14.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.567 ' CG2' ' CE1' ' A' ' 70' ' ' HIS . 3.9 t -138.01 137.21 44.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.177 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.433 HD11 ' N ' ' A' ' 73' ' ' ILE . 3.8 mp -109.91 154.71 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.69 163.11 31.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.004 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -86.81 122.15 30.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.253 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.459 HG23 ' CB ' ' A' ' 58' ' ' HIS . 94.0 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.4 t0 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.456 ' CB ' HD13 ' A' ' 44' ' ' LEU . 0.8 OUTLIER -74.52 -15.45 60.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.51 -42.17 78.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -71.64 -36.15 70.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.544 ' CE2' ' HG2' ' A' ' 41' ' ' GLN . 9.3 t80 -67.68 -55.84 11.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.494 ' CD1' ' HA ' ' A' ' 45' ' ' ILE . 6.3 tp -53.89 -52.47 35.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.448 ' N ' ' CG2' ' A' ' 13' ' ' ILE . 1.0 OUTLIER -47.95 -56.89 6.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -45.68 -40.14 8.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.331 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 19' ' ' LYS . 95.3 t -70.96 -46.33 68.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.0 mm -41.71 -39.34 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -60.79 -46.6 89.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 16' ' ' VAL . 8.7 mttm -58.01 -47.91 81.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.462 ' CD1' HD22 ' A' ' 49' ' ' LEU . 72.7 mt -61.84 -61.88 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' ILE . 1.7 mt-10 -37.07 -63.38 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.79 -56.07 9.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.581 ' CE1' ' HE3' ' A' ' 75' ' ' LYS . 1.9 t80 -51.81 -36.66 48.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.41 ' CD1' ' CG2' ' A' ' 20' ' ' ILE . 18.1 mt -73.27 -36.59 66.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -63.77 -46.28 85.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.9 145.84 39.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.964 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -92.51 -53.99 3.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -51.54 -49.49 61.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -41.12 132.16 2.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.03 -40.21 3.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.353 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.97 125.0 13.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.996 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.566 ' HB2' ' CD1' ' A' ' 23' ' ' PHE . 14.9 tp -96.37 130.06 43.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -103.83 120.87 41.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 27.0 mt -91.85 170.69 9.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -83.84 148.49 54.36 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 114.56 4.05 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.43 1.753 . . . . 0.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.6 p -90.19 -158.85 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 108.308 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 39' ' ' GLY . 20.9 p -85.75 -61.64 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.377 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.448 ' N ' ' OG1' ' A' ' 38' ' ' THR . . . 175.77 -49.5 0.12 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.461 1.101 . . . . 0.0 111.046 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -54.23 -59.54 4.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 111.006 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.544 ' HG2' ' CE2' ' A' ' 12' ' ' PHE . 5.8 mp0 -49.73 -51.42 38.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.418 ' HG3' ' CD1' ' A' ' 71' ' ' ILE . 25.5 ttp85 -42.37 -50.88 5.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.325 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -58.19 -38.9 77.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' A' ' 41' ' ' GLN . 34.8 mt -59.56 -50.39 74.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.494 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 91.3 mt -52.86 -58.03 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.148 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.458 ' CE1' ' CG1' ' A' ' 59' ' ' VAL . 17.4 m-85 -54.72 -44.36 73.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.507 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -57.97 -53.12 61.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.253 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 m -58.07 -59.81 4.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.397 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.462 HD22 ' CD1' ' A' ' 20' ' ' ILE . 59.5 mt -54.54 -19.99 6.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 1.0 OUTLIER -58.35 -38.07 76.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.994 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.553 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 54.4 p-90 -111.93 -32.25 6.66 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.586 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.7 OUTLIER -61.92 -31.84 72.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.586 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 63.3 m-85 -160.5 84.07 2.02 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -35.82 2.97 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.518 1.799 . . . . 0.0 110.974 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.3 104.64 5.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 175.25 -46.04 0.13 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.473 HD12 ' CB ' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -131.34 -178.06 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 109.327 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.451 ' C ' ' CD2' ' A' ' 58' ' ' HIS . 1.8 t-160 -142.12 110.59 6.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.564 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.458 ' CG1' ' CE1' ' A' ' 46' ' ' TYR . 22.0 t -83.63 127.49 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -139.24 140.99 37.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.361 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.4 m . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 110.4 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.457 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.418 ' CD1' ' HG3' ' A' ' 42' ' ' ARG . 86.9 mt -69.0 138.99 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.429 HG21 ' NE2' ' A' ' 70' ' ' HIS . 2.6 t -133.85 131.14 56.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.435 HD11 ' N ' ' A' ' 73' ' ' ILE . 3.9 mp -104.24 111.95 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.1 m -109.0 129.36 55.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.964 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.581 ' HE3' ' CE1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -53.52 132.11 39.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.443 HG23 ' N ' ' A' ' 58' ' ' HIS . 53.2 t . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -64.75 -19.89 66.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.54 -35.65 79.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.7 mttp -75.81 -37.94 58.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.564 ' CE2' ' HG2' ' A' ' 41' ' ' GLN . 4.3 t80 -64.56 -51.87 60.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.479 ' CD1' ' HA ' ' A' ' 45' ' ' ILE . 4.9 tp -58.35 -53.8 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.461 ' N ' ' CG2' ' A' ' 13' ' ' ILE . 11.0 t0 -45.88 -54.54 8.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -48.02 -44.0 30.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.416 HG13 ' CD1' ' A' ' 34' ' ' LEU . 96.1 t -62.43 -51.01 77.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 16' ' ' VAL . 6.8 mm -39.91 -55.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -41.49 -50.54 3.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.27 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -60.71 -45.09 95.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.427 ' CG2' HD13 ' A' ' 24' ' ' LEU . 72.0 mt -59.96 -66.25 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -38.61 -57.61 1.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.5 -54.77 28.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.509 ' CD1' ' HB2' ' A' ' 32' ' ' LEU . 2.2 t80 -53.27 -37.26 62.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.427 HD13 ' CG2' ' A' ' 20' ' ' ILE . 35.2 mt -71.71 -32.23 67.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -68.5 -58.81 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.242 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.26 147.23 1.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.988 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.14 -59.57 2.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.71 -47.9 20.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -42.39 127.89 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -117.42 -35.66 3.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.0 129.7 17.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.963 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.509 ' HB2' ' CD1' ' A' ' 23' ' ' PHE . 26.5 tp -96.35 157.57 15.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -131.08 128.32 39.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.416 ' CD1' HG13 ' A' ' 16' ' ' VAL . 22.3 mt -104.81 166.36 10.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.19 155.67 92.79 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 116.99 4.75 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.471 1.774 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 37.6 m -90.08 175.36 7.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 108.299 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.0 t -89.23 -23.51 22.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.077 . . . . 0.0 110.404 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.13 -74.06 0.27 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.566 ' CD1' ' HD3' ' A' ' 43' ' ' LYS . 43.2 t80 -37.5 -62.3 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 0.752 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.564 ' HG2' ' CE2' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -42.21 -52.46 4.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.46 ' CB ' HD12 ' A' ' 71' ' ' ILE . 12.0 mtt180 -45.75 -50.53 13.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.566 ' HD3' ' CD1' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -58.47 -29.65 66.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.581 1.175 . . . . 0.0 109.334 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 41' ' ' GLN . 26.7 mt -71.1 -48.63 51.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.479 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 89.6 mt -58.41 -48.62 84.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.573 ' CE1' HG11 ' A' ' 59' ' ' VAL . 30.4 m-85 -63.34 -36.39 83.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.497 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.7 OUTLIER -62.3 -52.5 63.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.324 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.453 HG21 ' CE ' ' A' ' 52' ' ' LYS . 1.0 OUTLIER -57.82 -63.78 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.376 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.407 HD22 ' CD1' ' A' ' 20' ' ' ILE . 47.9 mt -49.37 -24.16 1.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.078 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 1.0 OUTLIER -54.23 -40.23 67.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.986 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.547 ' CH2' ' HG3' ' A' ' 52' ' ' LYS . 55.0 p-90 -111.8 -32.15 6.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 108.022 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.585 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.7 OUTLIER -62.63 -44.7 95.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.585 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 72.8 m-85 -154.78 80.83 4.42 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -35.69 2.99 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.526 1.803 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.95 108.0 7.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 172.72 -39.22 0.15 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.502 1.127 . . . . 0.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.459 HD13 ' CB ' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -129.23 -176.92 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.462 0.742 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.403 ' NE2' ' OE1' ' A' ' 60' ' ' GLU . 10.9 t60 -136.94 114.86 11.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.615 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.573 HG11 ' CE1' ' A' ' 46' ' ' TYR . 19.6 t -93.23 135.97 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.403 ' OE1' ' NE2' ' A' ' 58' ' ' HIS . 3.6 pt-20 -143.98 144.05 31.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.437 179.98 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.445 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.46 HD12 ' CB ' ' A' ' 42' ' ' ARG . 30.0 mt -71.18 131.18 34.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.428 ' CG2' ' NE2' ' A' ' 70' ' ' HIS . 3.9 t -126.92 140.32 49.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.428 HD13 ' N ' ' A' ' 73' ' ' ILE . 4.7 mp -113.36 153.43 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.88 161.68 35.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.009 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -83.65 124.03 30.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 91.7 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.258 -179.946 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.472 ' CB ' HD11 ' A' ' 44' ' ' LEU . 10.2 pt20 -76.13 -28.53 57.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.273 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.75 -37.99 60.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -73.52 -50.34 21.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.603 ' CE1' ' OE1' ' A' ' 41' ' ' GLN . 9.1 t80 -56.0 -53.7 53.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.479 ' CD1' ' HA ' ' A' ' 45' ' ' ILE . 6.6 tp -54.99 -49.98 66.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.409 ' N ' ' CG2' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -51.33 -56.16 14.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -45.88 -38.29 7.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 17' ' ' ILE . 97.9 t -70.24 -49.07 57.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 16' ' ' VAL . 7.6 mm -40.07 -48.13 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -50.78 -58.19 6.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -51.68 -39.22 57.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.416 ' O ' ' HB3' ' A' ' 23' ' ' PHE . 14.0 mt -65.11 -47.28 88.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -56.08 -52.96 62.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 0.0 110.347 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.421 ' HA ' ' NE2' ' A' ' 25' ' ' GLN . 2.1 t0 -55.67 -31.25 62.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.549 ' CD1' ' HB2' ' A' ' 32' ' ' LEU . 2.0 t80 -77.33 -23.7 50.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.5 mt -93.11 -33.83 13.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.421 ' NE2' ' HA ' ' A' ' 22' ' ' ASP . 1.3 pt20 -66.78 -37.79 85.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.413 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 1.9 t -70.05 152.89 43.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.037 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -92.21 -66.76 0.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -42.86 -49.9 5.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 110.352 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.413 ' CG ' ' HB3' ' A' ' 26' ' ' SER . 36.6 mttt -40.1 126.45 2.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.04 -36.7 3.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.16 129.76 16.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.033 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.549 ' HB2' ' CD1' ' A' ' 23' ' ' PHE . 17.9 tp -96.25 157.28 15.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -129.07 115.76 18.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 110.315 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.472 ' CD1' HD13 ' A' ' 73' ' ' ILE . 27.4 mt -94.71 176.68 6.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -87.38 152.19 52.06 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 115.75 4.38 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.498 1.788 . . . . 0.0 111.031 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 67.6 m -78.01 159.4 28.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 108.31 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.3 t -67.33 -21.94 65.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.374 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 146.46 -60.32 0.48 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -52.06 -61.38 2.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 0.756 . . . . 0.0 110.961 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.603 ' OE1' ' CE1' ' A' ' 12' ' ' PHE . 20.5 mm-40 -48.95 -50.62 34.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.02 -52.7 4.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.338 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -57.18 -40.99 78.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.3 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.472 HD11 ' CB ' ' A' ' 9' ' ' GLN . 28.7 mt -58.29 -53.02 63.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.479 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 98.7 mt -50.87 -59.57 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -53.92 -42.23 68.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.495 ' O ' ' CB ' ' A' ' 50' ' ' SER . 1.0 OUTLIER -57.35 -54.67 44.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.4 m -59.62 -60.73 3.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 110.386 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.419 ' CD1' HG22 ' A' ' 45' ' ' ILE . 59.5 mt -50.68 -22.96 2.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 1.4 t -54.44 -41.62 69.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.969 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 41.2 p-90 -110.69 -31.86 7.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 107.993 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.553 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -59.89 -35.11 74.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.553 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 57.0 m-85 -156.98 81.67 3.31 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -50.33 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.452 1.764 . . . . 0.0 110.965 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.81 121.45 34.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 147.03 -35.97 1.24 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.452 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 1.3 pp -132.58 161.05 42.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.55 ' CD2' ' HB3' ' A' ' 60' ' ' GLU . 12.9 t60 -128.07 103.62 7.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.6 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 43.3 t -77.42 104.53 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.55 ' HB3' ' CD2' ' A' ' 58' ' ' HIS . 10.0 pt-20 -109.52 159.11 17.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.362 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.0 m . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.36 -179.947 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.424 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 92.9 mt -77.82 143.2 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.416 HG21 ' NE2' ' A' ' 70' ' ' HIS . 2.4 t -138.62 132.33 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.556 ' N ' ' CD1' ' A' ' 73' ' ' ILE . 2.1 mp -101.92 111.86 33.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.0 m -108.44 127.46 53.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.026 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -54.15 139.08 36.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.4 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 t70 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -75.58 -16.29 60.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.259 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -64.06 -36.84 85.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -72.78 -46.92 50.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.487 ' CZ ' ' HG2' ' A' ' 41' ' ' GLN . 6.8 t80 -57.98 -53.66 55.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.488 ' CD1' ' HA ' ' A' ' 45' ' ' ILE . 6.9 tp -56.41 -49.5 76.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.404 ' N ' HG21 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -51.39 -53.16 39.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -49.29 -38.06 26.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 17' ' ' ILE . 94.1 t -69.25 -49.87 57.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 16' ' ' VAL . 7.7 mm -40.06 -51.94 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -48.69 -51.33 29.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -53.16 -49.15 67.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.466 ' CD1' HD22 ' A' ' 49' ' ' LEU . 31.8 mt -57.81 -62.2 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -40.58 -50.49 2.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.06 -50.03 74.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.565 ' CE1' ' HE3' ' A' ' 75' ' ' LYS . 0.7 OUTLIER -58.17 -35.84 72.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 110.944 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 47.2 mt -74.07 -40.29 62.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -56.44 -43.06 79.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.447 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -67.92 146.13 53.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.981 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.44 -64.68 1.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.35 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.1 -43.45 3.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.245 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.447 ' CG ' ' HB3' ' A' ' 26' ' ' SER . 16.9 mttp -43.14 135.16 3.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.16 -36.74 3.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.89 149.9 35.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.153 . . . . 0.0 110.011 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.516 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 24.8 tp -112.93 148.31 35.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -122.12 123.69 42.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.0 mt -99.64 175.27 5.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -83.42 152.04 63.43 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 120.08 5.92 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.484 1.781 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.444 ' HB2' ' CG ' ' A' ' 42' ' ' ARG . 74.6 m -90.04 -171.49 3.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 108.313 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.7 t -93.62 -29.7 15.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 110.45 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 154.49 -52.0 0.46 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.506 ' O ' ' CG ' ' A' ' 43' ' ' LYS . 5.5 t80 -58.8 -65.23 0.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 0.742 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.487 ' HG2' ' CZ ' ' A' ' 12' ' ' PHE . 10.2 mt-30 -40.5 -41.96 1.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.444 ' CG ' ' HB2' ' A' ' 37' ' ' CYS . 6.4 mtm180 -55.43 -52.95 61.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.506 ' CG ' ' O ' ' A' ' 40' ' ' PHE . 1.3 ptpt -57.17 -26.81 61.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.43 ' N ' ' HG3' ' A' ' 43' ' ' LYS . 26.8 mt -72.61 -51.33 20.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.488 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 59.6 mt -54.99 -51.45 53.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -60.66 -39.9 90.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -65.48 -42.17 92.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.8 m -70.41 -59.78 2.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.389 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.466 HD22 ' CD1' ' A' ' 20' ' ' ILE . 79.5 mt -54.11 -20.75 7.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.27 -38.52 74.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.986 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.506 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 51.6 p-90 -111.73 -32.37 6.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 107.963 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.561 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -62.25 -33.02 73.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.561 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 68.3 m-85 -158.09 82.69 2.82 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -46.19 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.91 126.54 38.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 142.49 -33.82 1.86 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.466 1.104 . . . . 0.0 110.951 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 pp -131.02 163.25 37.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.774 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.409 ' NE2' ' HB3' ' A' ' 60' ' ' GLU . 3.2 t60 -129.77 111.07 12.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.592 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.2 t -99.85 126.6 53.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.503 ' OE1' ' N ' ' A' ' 61' ' ' THR . 0.0 OUTLIER -141.73 165.15 28.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.503 ' N ' ' OE1' ' A' ' 60' ' ' GLU . 4.7 m . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.368 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.453 ' CD2' HG21 ' A' ' 72' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.429 HD12 ' CB ' ' A' ' 42' ' ' ARG . 55.1 mt -63.88 129.21 27.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.453 HG21 ' CD2' ' A' ' 70' ' ' HIS . 2.3 t -130.64 147.67 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.417 HD13 ' N ' ' A' ' 73' ' ' ILE . 4.3 mp -116.8 151.57 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.83 159.35 42.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.003 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.565 ' HE3' ' CE1' ' A' ' 23' ' ' PHE . 0.4 OUTLIER -79.08 125.76 29.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.406 HG21 ' CB ' ' A' ' 58' ' ' HIS . 86.2 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.9 t0 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.434 ' CB ' HD11 ' A' ' 44' ' ' LEU . 7.7 pt20 -76.29 -20.9 56.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -37.59 87.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -72.14 -44.05 63.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.41 ' CZ ' ' HB3' ' A' ' 41' ' ' GLN . 8.2 t80 -61.18 -53.42 57.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.991 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.492 ' CD1' ' HA ' ' A' ' 45' ' ' ILE . 6.8 tp -57.65 -54.48 30.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.473 ' N ' ' CG2' ' A' ' 13' ' ' ILE . 56.9 t0 -45.5 -52.52 10.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -50.59 -40.6 52.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.338 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.2 t -66.9 -52.92 39.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.402 ' N ' HD12 ' A' ' 17' ' ' ILE . 3.7 mm -40.27 -41.3 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -59.24 -53.79 54.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 110.294 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -52.57 -42.29 64.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.549 1.156 . . . . 0.0 109.38 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.409 HG22 ' CD1' ' A' ' 24' ' ' LEU . 71.8 mt -64.21 -61.57 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -39.61 -55.88 1.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.261 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -54.33 -52.32 61.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.513 ' CG ' ' HB2' ' A' ' 32' ' ' LEU . 1.1 t80 -55.5 -35.89 66.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 111.024 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.409 ' CD1' HG22 ' A' ' 20' ' ' ILE . 36.5 mt -73.82 -34.45 64.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -59.87 -44.8 93.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.1 146.45 54.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.003 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.27 -51.58 5.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -49.52 67.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -43.63 130.32 5.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -114.28 -34.32 5.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.27 146.07 30.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.991 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.513 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 21.2 tp -111.23 155.01 23.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -127.44 120.14 27.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 28.3 mt -94.98 178.14 5.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.17 151.94 60.83 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 114.26 3.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.516 1.798 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.0 p -89.2 168.01 12.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 108.325 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.406 HG21 ' N ' ' A' ' 39' ' ' GLY . 4.5 t -70.93 -45.69 63.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.401 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.427 ' HA2' ' NH1' ' A' ' 42' ' ' ARG . . . 169.11 -67.98 0.17 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.413 1.071 . . . . 0.0 111.039 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -38.01 -59.99 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 0.772 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.41 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 28.3 mm100 -51.03 -41.07 59.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.427 ' NH1' ' HA2' ' A' ' 39' ' ' GLY . 5.7 ttm105 -49.71 -54.8 16.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -54.92 -40.8 70.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.343 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.434 HD11 ' CB ' ' A' ' 9' ' ' GLN . 37.3 mt -55.49 -63.91 1.02 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.492 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 80.8 mt -40.5 -62.04 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -54.75 -34.67 62.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -66.0 -45.57 81.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.309 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.409 ' CG2' ' CE ' ' A' ' 52' ' ' LYS . 8.0 m -67.07 -61.28 2.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.418 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 36.3 mt -51.1 -24.92 4.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.4 -42.7 54.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.989 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.462 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 39.4 p-90 -111.45 -31.64 6.97 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.58 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -61.95 -44.89 95.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.58 ' CD1' ' HB3' ' A' ' 52' ' ' LYS . 77.8 m-85 -146.4 77.28 11.69 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.985 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -49.43 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.536 1.808 . . . . 0.0 111.012 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.94 122.75 38.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 144.57 -34.36 1.6 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.119 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.441 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 1.1 pp -131.16 165.17 32.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.471 0.748 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.415 ' N ' HG21 ' A' ' 76' ' ' VAL . 2.5 t60 -130.18 110.83 11.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.576 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.2 t -87.69 133.68 29.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -142.22 139.59 32.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.3 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.42 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.481 ' CE1' ' CG2' ' A' ' 72' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 35.2 mt -80.86 143.27 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.481 ' CG2' ' CE1' ' A' ' 70' ' ' HIS . 3.8 t -138.17 140.61 39.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.42 HD13 ' N ' ' A' ' 73' ' ' ILE . 3.7 mp -112.21 141.24 28.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -126.68 156.96 40.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.015 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.33 126.0 31.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.415 HG21 ' N ' ' A' ' 58' ' ' HIS . 96.0 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -73.47 -28.51 61.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.18 -41.58 85.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.4 mmtp -67.17 -49.85 63.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.568 ' CE1' ' OE1' ' A' ' 41' ' ' GLN . 13.1 t80 -55.32 -57.16 12.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.49 ' CD1' ' HA ' ' A' ' 45' ' ' ILE . 4.7 tp -54.2 -44.06 63.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.408 ' N ' HG21 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -55.44 -55.42 31.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.254 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -46.48 -38.26 8.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.9 t -68.45 -47.8 75.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.3 mm -42.32 -49.5 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -50.41 -50.95 50.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -58.53 -45.86 87.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 21' ' ' GLU . 84.0 mt -57.97 -64.64 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' ILE . 2.7 mt-10 -37.1 -59.13 0.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.328 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.84 -55.91 14.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.557 ' CD1' ' HB2' ' A' ' 32' ' ' LEU . 1.5 t80 -52.56 -38.74 60.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.407 HD11 ' CG2' ' A' ' 20' ' ' ILE . 25.0 mt -72.2 -33.42 67.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -63.52 -51.76 64.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.413 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 1.2 t -54.42 142.17 28.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.007 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -92.7 -38.35 11.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 29' ' ' LYS . 5.5 tt0 -66.37 -46.78 75.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.413 ' CG ' ' HB3' ' A' ' 26' ' ' SER . 26.0 mttt -39.93 133.12 1.68 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.244 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.15 -38.17 3.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.1 128.31 16.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.048 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.557 ' HB2' ' CD1' ' A' ' 23' ' ' PHE . 22.8 tp -96.8 149.31 21.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -121.57 126.36 48.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.3 mt -103.3 176.43 5.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -75.1 156.39 85.95 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 113.13 3.72 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.472 1.775 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.5 m -75.45 162.98 27.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 108.292 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.8 t -93.96 -25.92 17.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.398 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 162.08 -82.66 0.12 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 0.0 110.962 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -44.74 -57.62 3.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 110.992 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.568 ' OE1' ' CE1' ' A' ' 12' ' ' PHE . 74.8 mm-40 -45.53 -55.38 6.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.472 ' HG3' ' CD1' ' A' ' 71' ' ' ILE . 1.8 ttt180 -43.69 -46.67 7.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -61.91 -37.67 85.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 41' ' ' GLN . 41.3 mt -58.91 -58.82 6.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.251 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.49 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 95.3 mt -45.42 -60.5 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.568 ' CE1' HG12 ' A' ' 59' ' ' VAL . 19.2 m-85 -51.92 -52.84 47.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.8 OUTLIER -47.25 -54.72 10.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.436 ' CG2' ' HG3' ' A' ' 52' ' ' LYS . 4.7 m -57.21 -67.76 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.393 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.403 HD23 ' CD1' ' A' ' 20' ' ' ILE . 74.2 mt -46.09 -25.65 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.6 OUTLIER -54.16 -40.65 67.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.019 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.468 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 44.3 p-90 -110.94 -32.38 6.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 107.969 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.574 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -61.05 -33.47 73.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.277 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.574 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 53.4 m-85 -161.86 83.96 1.71 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -36.21 2.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.476 1.777 . . . . 0.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.18 108.61 6.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 173.35 -45.16 0.16 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.47 HD13 ' CB ' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -127.65 -176.91 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 109.346 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.548 ' CD2' ' OE1' ' A' ' 60' ' ' GLU . 1.6 t60 -136.58 116.06 12.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.644 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.568 HG12 ' CE1' ' A' ' 46' ' ' TYR . 37.3 t -90.79 133.99 30.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.269 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.548 ' OE1' ' CD2' ' A' ' 58' ' ' HIS . 8.6 pt-20 -140.74 153.71 46.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.263 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.416 HG21 ' NH1' ' A' ' 42' ' ' ARG . 7.5 m . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 110.395 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.705 ' CE1' ' CG2' ' A' ' 72' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.472 ' CD1' ' HG3' ' A' ' 42' ' ' ARG . 28.3 mt -74.38 141.03 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.705 ' CG2' ' CE1' ' A' ' 70' ' ' HIS . 3.9 t -138.86 137.16 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.506 HG23 ' CE2' ' A' ' 23' ' ' PHE . 3.8 mp -109.54 152.54 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.72 159.42 41.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -81.1 126.56 31.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 92.9 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.401 ' CD ' ' CD1' ' A' ' 44' ' ' LEU . 13.4 mm-40 -90.75 -26.12 19.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.2 -35.3 78.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -78.03 -40.51 38.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.531 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 1.3 t80 -65.08 -40.02 94.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.474 ' CD1' ' HA ' ' A' ' 45' ' ' ILE . 6.2 tp -71.01 -48.74 54.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.419 ' N ' HG21 ' A' ' 13' ' ' ILE . 38.6 t70 -54.54 -43.96 72.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.176 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -61.48 -37.18 82.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.267 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.8 t -68.56 -50.92 51.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 20' ' ' ILE . 4.4 mt -47.74 -50.08 9.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -45.2 -47.08 12.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -62.18 -34.19 75.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.437 ' N ' ' O ' ' A' ' 17' ' ' ILE . 65.5 mt -71.17 -60.53 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 20' ' ' ILE . 1.9 mm-40 -38.12 -51.46 1.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -57.96 -50.33 73.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.523 ' CG ' ' HB2' ' A' ' 32' ' ' LEU . 1.4 t80 -58.0 -30.97 66.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.7 mt -77.38 -35.24 54.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -60.21 -52.37 65.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.406 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -57.3 148.07 23.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.017 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -92.36 -63.56 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -42.64 -45.71 4.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.246 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.406 ' CG ' ' HB3' ' A' ' 26' ' ' SER . 68.0 mttt -41.77 134.79 2.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.91 -37.64 3.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.02 155.08 42.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.982 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.523 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 22.2 tp -118.61 155.33 31.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -123.67 123.92 41.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 27.3 mt -102.99 167.2 9.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.3 p-10 -67.08 150.75 97.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 101.23 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 64.7 m -70.82 178.86 2.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 108.268 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.9 p -92.76 -55.83 3.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.372 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -177.26 -50.96 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.462 ' O ' ' CG ' ' A' ' 43' ' ' LYS . 9.1 t80 -65.62 -64.09 0.94 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 0.77 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.457 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 1.6 mt-30 -51.83 -26.16 9.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.457 ' CG ' HD13 ' A' ' 71' ' ' ILE . 1.6 ttm180 -67.37 -47.94 68.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.322 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 40' ' ' PHE . 6.8 ptpt -62.62 -29.37 70.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' A' ' 41' ' ' GLN . 64.4 mt -63.05 -52.8 61.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.474 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 53.8 mt -53.33 -51.42 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.618 ' CE1' ' CG1' ' A' ' 59' ' ' VAL . 33.9 m-85 -63.56 -34.14 77.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 111.061 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.41 ' O ' ' HB3' ' A' ' 50' ' ' SER . 2.3 tt0 -67.93 -42.6 80.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.427 HG21 ' CG ' ' A' ' 52' ' ' LYS . 16.1 m -68.67 -70.79 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.8 mt -42.97 -31.74 0.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.41 ' HB3' ' O ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -48.45 -41.48 29.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.044 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.568 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 54.6 p-90 -110.68 -32.65 6.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 108.002 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.575 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -61.14 -42.97 99.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.575 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 79.5 m-85 -153.39 80.37 5.25 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -57.54 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.53 1.805 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.26 103.02 12.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 173.75 -50.59 0.15 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.117 . . . . 0.0 111.06 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.459 HD11 ' CB ' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -127.88 -177.04 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 0.773 . . . . 0.0 109.333 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.487 ' C ' ' CD2' ' A' ' 58' ' ' HIS . 0.9 OUTLIER -139.35 121.71 16.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.607 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.618 ' CG1' ' CE1' ' A' ' 46' ' ' TYR . 36.7 t -93.51 132.8 36.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.42 ' HB3' ' NE2' ' A' ' 58' ' ' HIS . 0.5 OUTLIER -144.35 142.65 30.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 110.327 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 53.8 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.423 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.476 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.457 HD13 ' CG ' ' A' ' 42' ' ' ARG . 35.7 mt -63.81 134.17 28.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.6 t -133.28 143.23 39.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.43 HD13 ' N ' ' A' ' 73' ' ' ILE . 3.9 mp -112.97 151.12 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.29 157.74 46.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.012 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -78.62 123.1 26.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 95.8 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.467 ' CG ' HD12 ' A' ' 44' ' ' LEU . 22.9 mt-30 -70.36 -28.43 65.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -29.37 64.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.4 mtmt -81.87 -46.47 14.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.542 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -58.9 -38.58 79.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.486 ' CD1' ' HA ' ' A' ' 45' ' ' ILE . 6.5 tp -71.46 -49.4 47.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.253 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.421 ' N ' HG21 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -53.5 -43.07 67.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -63.02 -37.11 85.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 93.2 t -68.93 -51.08 48.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.1 mt -46.68 -47.33 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -47.8 -48.58 30.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -57.32 -38.76 74.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.8 mt -68.65 -45.74 80.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -51.17 -61.08 2.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -48.51 -46.42 38.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.52 ' CG ' ' HB2' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -60.16 -41.88 93.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.6 mt -65.9 -38.22 88.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -59.89 -42.45 93.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.29 145.92 54.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.035 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.24 -56.89 2.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 29' ' ' LYS . 1.4 mt-10 -49.59 -51.5 36.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 28' ' ' GLU . 22.9 mttp -40.12 133.25 1.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.59 -35.66 3.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.21 137.95 24.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.985 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.52 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 15.4 tp -103.77 157.0 17.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -126.58 125.81 42.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 23.4 mt -100.96 163.87 12.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.092 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.88 152.99 91.15 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 120.55 6.12 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.515 1.797 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.9 m -90.11 162.79 15.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 108.286 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.1 t -70.68 -36.65 73.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 163.64 -74.56 0.18 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.541 1.151 . . . . 0.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -42.19 -53.4 4.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 0.763 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.468 ' HG2' ' CE2' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -55.71 -54.04 49.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.455 ' CG ' HD11 ' A' ' 71' ' ' ILE . 0.5 OUTLIER -38.77 -46.06 1.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -63.7 -47.62 80.43 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.467 HD12 ' CG ' ' A' ' 9' ' ' GLN . 64.1 mt -46.63 -48.0 19.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.486 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 96.0 mt -56.26 -58.44 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -54.24 -62.82 1.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.492 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.7 OUTLIER -41.82 -53.04 3.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.473 ' CG2' HG12 ' A' ' 13' ' ' ILE . 3.7 m -57.14 -69.05 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.397 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.6 mt -46.76 -25.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.4 OUTLIER -54.38 -40.91 68.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.069 . . . . 0.0 109.993 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 44.7 p-90 -110.28 -30.55 7.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 108.004 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.544 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -64.54 -39.17 93.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.544 ' CD1' ' HB3' ' A' ' 52' ' ' LYS . 87.6 m-85 -151.92 79.42 6.38 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -51.66 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.578 1.831 . . . . 0.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.08 114.56 21.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.73 -32.84 0.75 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.956 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.4 pp -133.57 165.62 31.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.475 0.75 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.439 ' CB ' HG22 ' A' ' 76' ' ' VAL . 4.3 t60 -129.99 108.47 10.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.572 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.8 t -92.85 131.36 40.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.447 ' OE1' ' HB ' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -138.27 165.26 27.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.41 179.973 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.529 ' CE1' HG21 ' A' ' 72' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.455 HD11 ' CG ' ' A' ' 42' ' ' ARG . 33.6 mt -81.35 135.97 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.529 HG21 ' CE1' ' A' ' 70' ' ' HIS . 2.1 t -137.08 141.0 41.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.43 HD13 ' N ' ' A' ' 73' ' ' ILE . 4.0 mp -112.71 157.13 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.65 161.51 35.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -83.01 124.2 30.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.582 1.176 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.439 HG22 ' CB ' ' A' ' 58' ' ' HIS . 86.9 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 55.9 83.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 0.75 . . . . 0.0 110.029 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.11 -53.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.23 -60.68 5.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.9 m -59.52 -52.56 65.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 110.022 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.6 m -48.86 -56.23 9.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.995 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.24 -21.2 63.88 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.05 -46.64 23.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.451 0.736 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -76.27 -13.04 60.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 110.344 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.83 -43.34 72.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -69.5 -39.71 77.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -64.57 -53.68 44.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 111.043 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.488 ' CD1' ' HA ' ' A' ' 45' ' ' ILE . 6.3 tp -57.79 -48.35 83.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.412 ' N ' HG23 ' A' ' 13' ' ' ILE . 2.0 m-20 -51.69 -52.52 47.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -50.32 -38.48 41.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' ILE . 93.8 t -67.86 -49.99 63.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' VAL . 6.8 mm -40.45 -56.31 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -42.2 -52.74 4.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -54.2 -44.79 71.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.463 ' CG2' HD11 ' A' ' 24' ' ' LEU . 29.7 mt -60.45 -56.91 14.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -44.38 -57.37 3.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.57 -52.48 46.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.565 ' CE1' ' HE3' ' A' ' 75' ' ' LYS . 1.0 OUTLIER -55.07 -39.97 69.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.961 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.463 HD11 ' CG2' ' A' ' 20' ' ' ILE . 50.3 mt -67.77 -38.52 83.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -58.54 -59.06 5.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 110.324 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.406 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -49.29 146.25 3.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -92.2 -59.92 1.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.319 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.6 -48.31 19.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.233 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.406 ' CG ' ' HB3' ' A' ' 26' ' ' SER . 23.7 mttt -40.31 126.21 2.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.67 -34.15 5.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 110.331 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.35 136.5 23.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.057 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.503 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 30.2 tp -102.8 153.46 20.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -124.28 118.82 27.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.2 mt -95.94 174.63 6.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.262 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -77.78 152.1 80.07 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 113.63 3.84 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.478 1.778 . . . . 0.0 111.013 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 53.3 m -72.96 165.2 25.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 108.3 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 t -87.39 -32.59 19.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.415 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 169.03 -78.17 0.1 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.441 1.088 . . . . 0.0 111.051 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -49.76 -62.87 1.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.755 . . . . 0.0 110.986 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.409 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 31.7 mt-30 -43.73 -48.43 7.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -47.61 -51.57 20.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 110.273 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -58.11 -39.8 79.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.409 ' CD1' ' HA ' ' A' ' 41' ' ' GLN . 46.2 mt -55.53 -60.27 3.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.488 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 81.9 mt -42.8 -62.34 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -52.1 -43.24 63.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 110.962 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -57.49 -53.14 61.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.3 m -59.31 -62.19 2.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.083 . . . . 0.0 110.379 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.441 HD12 ' CG2' ' A' ' 45' ' ' ILE . 50.5 mt -50.42 -22.92 2.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 1.3 t -54.46 -42.06 70.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.447 1.092 . . . . 0.0 110.023 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 38.1 p-90 -110.57 -31.7 7.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 108.002 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.568 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -60.33 -39.28 86.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.568 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 48.9 m-85 -152.69 79.42 5.89 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -48.97 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.496 1.788 . . . . 0.0 110.938 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.53 121.1 33.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 146.99 -37.14 1.18 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.556 1.16 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.436 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 1.2 pp -128.92 165.35 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 0.761 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.445 ' NE2' ' CD ' ' A' ' 60' ' ' GLU . 1.6 t60 -128.52 111.78 13.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.586 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.5 t -88.85 132.13 34.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.445 ' CD ' ' NE2' ' A' ' 58' ' ' HIS . 6.1 pt-20 -142.75 149.39 38.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.463 ' CG2' ' HG2' ' A' ' 69' ' ' ARG . 1.5 m -106.1 104.92 14.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 110.404 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.0 mt -101.79 142.15 33.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -123.83 132.55 53.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.351 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.448 ' OG1' ' CB ' ' A' ' 67' ' ' LYS . 29.8 p -124.65 -148.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.376 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.07 -62.02 1.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.72 -37.12 11.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.448 ' CB ' ' OG1' ' A' ' 64' ' ' THR . 0.9 OUTLIER -67.48 -26.79 66.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 45.21 -168.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 110.327 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.463 ' HG2' ' CG2' ' A' ' 61' ' ' THR . 0.0 OUTLIER -62.79 105.75 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.43 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER -131.34 145.26 51.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.586 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 65.1 mt -69.9 138.32 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.425 HG22 ' NE2' ' A' ' 70' ' ' HIS . 3.0 t -138.21 134.47 44.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.426 HD11 ' N ' ' A' ' 73' ' ' ILE . 3.6 mp -108.44 155.19 9.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.75 162.37 33.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.979 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.565 ' HE3' ' CE1' ' A' ' 23' ' ' PHE . 0.6 OUTLIER -84.6 122.02 28.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.434 HG23 ' CB ' ' A' ' 58' ' ' HIS . 95.3 t -122.77 163.25 21.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -133.07 158.53 42.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.3 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.65 -54.8 7.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -47.9 -60.23 2.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.5 -60.45 1.11 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.125 . . . . 0.0 110.256 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.15 129.47 27.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 34.6 t -64.63 -49.03 72.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 145.22 -144.91 13.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.456 1.097 . . . . 0.0 111.034 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 139.19 23.95 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.5 m -69.23 -60.52 2.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.962 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.55 -61.76 0.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.995 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.8 m -144.52 96.61 2.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 0.786 . . . . 0.0 110.026 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 m -124.08 138.86 54.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.996 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.97 -66.19 1.41 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 8' ' ' ASP . 73.5 m -63.93 -59.46 4.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.437 0.728 . . . . 0.0 109.978 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -42.22 -58.07 2.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.022 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.18 -31.14 61.79 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.528 1.142 . . . . 0.0 111.034 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 5' ' ' SER . 0.9 OUTLIER -67.62 -56.48 9.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 0.801 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.437 ' CB ' HD12 ' A' ' 44' ' ' LEU . 8.3 pt20 -65.3 -23.79 67.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.41 -43.43 83.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -66.78 -44.44 81.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.588 ' CD1' ' OE1' ' A' ' 41' ' ' GLN . 12.5 t80 -62.86 -56.33 18.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.499 ' CD1' ' HA ' ' A' ' 45' ' ' ILE . 4.9 tp -55.51 -54.18 28.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.472 ' N ' ' CG2' ' A' ' 13' ' ' ILE . 48.1 t0 -45.2 -54.12 7.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -49.17 -40.33 32.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 19' ' ' LYS . 90.1 t -68.1 -48.48 74.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.9 mm -41.5 -45.13 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -52.96 -44.24 66.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 16' ' ' VAL . 53.4 mttm -59.24 -47.97 83.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.7 mt -59.98 -59.92 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -45.22 -60.23 2.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -51.28 -49.86 60.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.514 ' CG ' ' HB2' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -56.3 -38.39 71.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 111.049 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.4 mt -70.1 -37.97 75.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -58.34 -47.95 82.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.429 ' CB ' ' HD2' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -61.31 145.62 50.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.023 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -92.42 -58.71 2.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -47.0 -40.07 13.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.429 ' HD2' ' CB ' ' A' ' 26' ' ' SER . 16.9 mttm -53.34 126.93 22.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.56 -34.2 4.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.98 129.75 17.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.954 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.514 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 30.9 tp -97.2 152.4 18.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -124.99 123.41 39.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.4 mt -98.49 175.99 5.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -88.96 151.9 47.71 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 121.23 6.44 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.517 1.798 . . . . 0.0 111.041 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.2 m -87.08 178.31 6.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 108.329 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.0 p -84.7 -23.37 29.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.438 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 148.07 -66.9 0.39 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -43.17 -63.6 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 0.793 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.588 ' OE1' ' CD1' ' A' ' 12' ' ' PHE . 29.3 mm-40 -50.86 -45.54 59.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -44.49 -47.6 10.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -35.36 79.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.437 HD12 ' CB ' ' A' ' 9' ' ' GLN . 38.2 mt -61.33 -42.89 99.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.499 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 88.3 mt -60.6 -49.97 82.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -60.81 -49.9 75.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.5 ' O ' ' CB ' ' A' ' 50' ' ' SER . 1.4 mm-40 -49.59 -53.45 23.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.9 m -58.22 -66.49 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.392 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 78.5 mt -48.2 -24.37 1.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.9 OUTLIER -52.9 -43.19 66.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.01 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.568 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 51.2 p-90 -110.53 -31.94 7.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 108.026 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.568 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -58.77 -53.31 59.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.519 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 88.0 m-85 -139.94 75.93 29.1 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -43.36 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.772 . . . . 0.0 111.019 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.17 120.38 24.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 147.06 -34.47 1.31 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.405 ' CG1' ' HB3' ' A' ' 53' ' ' TYR . 1.3 pp -129.23 164.51 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.758 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.458 ' CB ' HG22 ' A' ' 76' ' ' VAL . 2.2 t60 -125.91 112.42 15.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.619 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.8 t -94.39 133.96 33.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.435 ' OE1' ' NE2' ' A' ' 58' ' ' HIS . 4.1 pt-20 -143.31 146.0 33.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.3 m -102.18 106.04 16.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.45 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.6 mt -103.35 142.38 34.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -124.4 129.85 51.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.344 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.518 ' OG1' ' CB ' ' A' ' 67' ' ' LYS . 32.8 p -120.22 -146.09 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.369 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.448 ' N ' ' HG1' ' A' ' 64' ' ' THR . 1.7 t0 -92.54 -63.07 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -92.24 -40.32 11.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.518 ' CB ' ' OG1' ' A' ' 64' ' ' THR . 0.0 OUTLIER -58.3 -46.79 85.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 65.5 174.8 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -50.85 97.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.273 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.445 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER -123.26 144.07 49.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.602 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 13.7 mt -70.42 133.55 31.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.422 HG22 ' NE2' ' A' ' 70' ' ' HIS . 3.0 t -130.59 136.94 57.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.429 HD11 ' N ' ' A' ' 73' ' ' ILE . 4.3 mp -111.74 153.24 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.403 ' N ' HG22 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -136.8 161.24 36.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.99 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -83.52 124.89 31.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.458 HG22 ' CB ' ' A' ' 58' ' ' HIS . 92.9 t -126.42 164.16 27.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.407 ' N ' ' CG1' ' A' ' 76' ' ' VAL . 3.0 t70 -141.64 151.57 43.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.3 -66.87 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.92 -55.65 3.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -38.9 -57.85 1.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.1 mtp85 -54.32 143.65 22.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 46.6 t -98.72 -45.16 6.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.032 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -59.71 -122.17 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 81.0 2.29 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.2 t -80.15 -58.06 3.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.002 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.4 p -48.56 -58.42 4.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 t 44.68 92.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 0.765 . . . . 0.0 109.993 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 m -104.33 79.82 1.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 0.0 110.008 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.92 -64.02 1.15 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 8' ' ' ASP . 1.2 m -40.92 -66.68 0.3 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 0.761 . . . . 0.0 109.966 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -40.66 -52.1 2.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.993 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.53 -41.18 25.24 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.423 1.077 . . . . 0.0 111.036 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 5' ' ' SER . 8.8 t0 -56.82 -42.78 80.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 0.729 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -80.51 -14.0 58.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.82 -47.81 10.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -35.39 80.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -68.87 -55.21 11.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.493 ' CD1' ' HA ' ' A' ' 45' ' ' ILE . 4.9 tp -56.7 -48.37 80.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.415 ' N ' HG22 ' A' ' 13' ' ' ILE . 24.8 t0 -51.03 -54.45 24.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -48.02 -40.68 23.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 17' ' ' ILE . 93.8 t -65.88 -50.02 73.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 16' ' ' VAL . 7.2 mm -40.18 -52.99 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -50.31 -53.03 31.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -52.6 -38.74 60.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.5 mt -68.09 -62.74 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -42.63 -57.77 2.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.08 -52.59 50.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.455 ' CG ' ' HB2' ' A' ' 32' ' ' LEU . 1.4 t80 -54.83 -38.91 67.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.1 mt -69.98 -38.75 76.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -59.41 -43.08 93.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.411 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -62.39 146.26 51.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.591 1.182 . . . . 0.0 110.026 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -92.28 -63.64 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 29' ' ' LYS . 1.4 tm-20 -43.38 -48.02 6.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.268 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.411 ' CG ' ' HB3' ' A' ' 26' ' ' SER . 18.2 mttp -40.52 131.22 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.94 -36.72 3.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.99 136.62 24.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.455 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 32.9 tp -103.5 151.39 22.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -124.41 119.0 27.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.286 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.3 mt -97.22 174.03 6.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -73.22 147.0 87.56 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 104.65 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.463 1.77 . . . . 0.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.1 m -63.86 167.79 5.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 108.307 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.6 t -94.25 -14.1 25.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.39 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 152.41 -73.15 0.27 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -57.94 -61.31 2.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 0.733 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.503 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 30.6 mm100 -44.77 -29.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.461 ' HG3' ' CD1' ' A' ' 71' ' ' ILE . 1.4 tpp85 -67.7 -52.19 40.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -58.33 -28.11 64.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.503 ' CD1' ' HA ' ' A' ' 41' ' ' GLN . 58.1 mt -65.34 -52.18 55.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.493 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 94.8 mt -54.96 -52.47 43.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -56.83 -49.06 76.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.5 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -52.7 -53.37 48.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.0 m -58.59 -61.83 2.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 110.36 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.413 HD23 ' CD2' ' A' ' 53' ' ' TYR . 81.2 mt -52.85 -21.17 3.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 1.0 OUTLIER -56.14 -40.92 74.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.979 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 36.1 p-90 -110.85 -32.02 6.98 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.564 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -61.61 -29.79 70.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.358 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.564 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 66.4 m-85 -160.22 83.21 2.16 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -41.09 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.23 112.04 7.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 163.1 -36.75 0.33 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.436 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 1.2 pp -127.66 166.12 25.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 0.778 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.442 ' NE2' ' OE1' ' A' ' 60' ' ' GLU . 1.7 t60 -128.76 114.59 16.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.613 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.0 t -93.32 136.18 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.442 ' OE1' ' NE2' ' A' ' 58' ' ' HIS . 4.4 pt-20 -144.57 146.01 32.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.1 m -101.42 104.97 15.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.371 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.8 mt -100.64 141.18 33.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.41 1.069 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -124.11 128.45 49.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.282 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.519 ' OG1' ' CB ' ' A' ' 67' ' ' LYS . 29.9 p -122.41 -147.32 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.386 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.454 ' N ' ' HG1' ' A' ' 64' ' ' THR . 1.2 t0 -92.53 -62.62 1.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.8 ptpt -91.74 -40.93 10.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.519 ' CB ' ' OG1' ' A' ' 64' ' ' THR . 0.0 OUTLIER -58.24 -48.51 80.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 64.41 173.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 110.261 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 76.1 mtm180 -46.46 101.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.442 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER -129.24 144.31 51.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.619 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.461 ' CD1' ' HG3' ' A' ' 42' ' ' ARG . 30.4 mt -70.97 136.5 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.426 HG21 ' NE2' ' A' ' 70' ' ' HIS . 4.1 t -134.19 136.5 53.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.425 HD11 ' N ' ' A' ' 73' ' ' ILE . 4.1 mp -110.39 152.48 12.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.403 ' N ' HG22 ' A' ' 73' ' ' ILE . 0.3 OUTLIER -136.74 161.46 35.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.025 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -80.97 125.42 30.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.425 HG23 ' CB ' ' A' ' 58' ' ' HIS . 90.6 t -124.83 163.84 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.407 ' N ' ' CG1' ' A' ' 76' ' ' VAL . 47.7 t0 -139.07 154.7 48.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.61 -53.62 49.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.335 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.34 -30.7 68.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.49 -62.97 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -58.84 142.96 48.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 95.8 p -82.8 -47.07 12.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.088 . . . . 0.0 110.008 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 68.17 157.33 0.98 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -179.44 4.99 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.464 1.771 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.1 m -83.5 -56.62 3.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.009 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 m -82.35 -56.77 3.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.975 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.137 . . . . 0.0 110.983 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.7 p -62.62 129.92 42.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.966 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.64 126.78 29.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.73 -66.51 0.98 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.85 -65.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.773 . . . . 0.0 110.017 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 8' ' ' ASP . 0.3 OUTLIER -46.7 -49.01 20.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.972 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.0 -31.31 0.09 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.472 1.108 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 6' ' ' SER . 19.1 m-20 -62.12 -63.67 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 109.317 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.465 ' CB ' HD13 ' A' ' 44' ' ' LEU . 9.0 pt20 -68.38 -32.28 72.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.259 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -41.99 61.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -70.25 -39.99 74.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -64.59 -54.96 23.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 45' ' ' ILE . 7.9 tp -55.72 -50.34 68.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.415 ' N ' ' CG2' ' A' ' 13' ' ' ILE . 0.6 OUTLIER -49.36 -55.67 12.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -46.75 -40.66 13.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 99.1 t -67.32 -48.6 77.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.1 mm -40.85 -49.58 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -52.75 -53.76 43.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -51.29 -41.76 60.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.431 ' O ' ' C ' ' A' ' 21' ' ' GLU . 7.7 mt -64.39 -58.99 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 20' ' ' ILE . 6.0 mm-40 -35.86 -64.92 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.423 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 3.8 t0 -46.85 -59.25 3.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.561 ' CE2' HG22 ' A' ' 73' ' ' ILE . 2.4 t80 -48.88 -22.02 0.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.14 . . . . 0.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.418 HD11 ' CG2' ' A' ' 20' ' ' ILE . 23.1 mt -93.43 -32.74 14.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 22' ' ' ASP . 0.7 OUTLIER -77.47 -12.18 59.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.05 150.59 20.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.991 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.18 -66.67 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -42.53 -51.47 5.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -41.21 125.57 2.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.2 -35.32 4.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.14 126.58 14.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.021 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.513 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 31.6 tp -93.05 149.37 21.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -126.02 117.79 23.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 25.9 mt -94.08 177.32 6.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -83.57 153.18 64.78 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 119.11 5.5 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.494 1.786 . . . . 0.0 111.029 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 58.8 m -88.99 170.77 10.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 108.304 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.1 p -74.82 -51.95 12.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.422 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 176.17 -55.99 0.11 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.555 1.159 . . . . 0.0 110.959 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -54.72 -62.47 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 0.778 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.468 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 30.9 mm100 -49.26 -48.24 46.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.8 ttp85 -46.78 -46.83 20.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -62.4 -36.78 83.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 41' ' ' GLN . 44.5 mt -59.26 -52.01 67.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.449 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 96.6 mt -51.27 -52.18 20.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.4 ' OH ' ' OG1' ' A' ' 61' ' ' THR . 31.8 m-85 -63.65 -34.99 79.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.78 -38.59 86.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.323 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.404 ' C ' ' N ' ' A' ' 50' ' ' SER . 3.3 m -76.4 -65.7 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 110.416 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.1 mt -49.22 -23.75 1.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.404 ' N ' ' C ' ' A' ' 48' ' ' THR . 0.1 OUTLIER -54.3 -41.32 68.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.982 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.43 ' CZ3' ' CG ' ' A' ' 52' ' ' LYS . 47.5 p-90 -110.75 -31.87 7.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 108.006 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.562 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -59.16 -37.24 76.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.103 . . . . 0.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.562 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 66.1 m-85 -155.05 80.8 4.29 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -52.07 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.535 1.808 . . . . 0.0 110.971 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.82 110.36 15.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.47 -35.61 0.43 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.12 . . . . 0.0 111.038 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.2 pp -131.16 164.94 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.764 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.45 ' NE2' ' OE1' ' A' ' 60' ' ' GLU . 2.7 t60 -126.47 112.85 16.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.558 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.2 t -92.59 134.72 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.45 ' OE1' ' NE2' ' A' ' 58' ' ' HIS . 1.6 pt-20 -144.68 145.17 31.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.253 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.4 ' OG1' ' OH ' ' A' ' 46' ' ' TYR . 1.8 m -102.01 103.86 14.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.404 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.451 ' CD1' HG23 ' A' ' 72' ' ' VAL . 14.4 mt -89.62 149.88 22.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.498 ' O ' ' CG2' ' A' ' 64' ' ' THR . 1.7 tt0 -105.2 147.44 28.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.353 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 63' ' ' GLU . 1.4 p -160.99 149.93 16.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.394 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.4 -11.75 59.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.2 pttt -95.97 -38.2 10.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -101.25 -63.59 1.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.256 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.51 ' CB ' ' O ' ' A' ' 67' ' ' LYS . 1.2 mt-10 87.03 93.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 52.62 82.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.416 ' NE2' HG22 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -118.62 146.63 44.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.567 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 45.6 mt -77.19 138.61 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.451 HG23 ' CD1' ' A' ' 62' ' ' LEU . 2.6 t -137.34 137.16 46.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.561 HG22 ' CE2' ' A' ' 23' ' ' PHE . 4.0 mp -108.74 153.22 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.8 159.81 40.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.98 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.439 ' CE ' ' O ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -85.06 123.47 30.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 85.0 t -122.65 163.94 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -135.88 150.18 49.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -58.32 -59.24 5.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -44.45 -53.39 6.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.99 -66.14 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.287 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.33 144.94 19.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.346 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.35 -46.37 10.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 109.981 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -54.83 110.0 1.49 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.557 1.161 . . . . 0.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.88 13.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.533 1.807 . . . . 0.0 111.031 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.0 t -88.79 -58.25 2.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.97 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.7 m -52.95 -60.84 2.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.977 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.531 1.144 . . . . 0.0 111.021 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m 42.61 91.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 110.0 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.3 m -140.62 -53.73 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.69 -67.07 1.14 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 t -40.58 -40.27 1.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 0.774 . . . . 0.0 110.027 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 p -73.49 -53.5 10.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.058 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.18 -38.18 0.8 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.66 -62.69 1.61 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 0.757 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -68.02 -22.2 64.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -44.34 84.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -67.87 -43.59 79.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -62.69 -55.8 23.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.49 ' CD1' ' HA ' ' A' ' 45' ' ' ILE . 4.9 tp -54.98 -48.67 75.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.41 ' N ' HG23 ' A' ' 13' ' ' ILE . 1.7 t70 -51.69 -55.11 21.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -46.62 -38.89 10.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.1 t -69.12 -46.95 77.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.2 mm -43.04 -52.71 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -48.02 -53.96 14.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.265 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -49.47 -44.7 46.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.463 ' CG2' HD11 ' A' ' 24' ' ' LEU . 35.9 mt -64.71 -61.06 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -38.51 -57.18 1.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.32 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -52.14 -52.52 51.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.499 ' CG ' ' HB2' ' A' ' 32' ' ' LEU . 2.6 t80 -58.46 -26.3 63.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.463 HD11 ' CG2' ' A' ' 20' ' ' ILE . 38.7 mt -85.26 -14.41 46.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -95.18 -15.58 23.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.27 117.63 23.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.999 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -69.7 -36.27 75.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 110.245 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.18 -55.02 7.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.123 . . . . 0.0 110.256 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -47.15 131.39 12.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -113.1 -26.68 8.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 110.275 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.26 158.6 43.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.499 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 40.4 tp -122.04 161.82 22.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -132.88 118.44 18.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.9 mt -97.07 163.87 12.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.94 149.19 92.39 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 99.81 1.29 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.424 1.749 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 58.7 m -65.52 -179.05 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 108.301 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 43.4 p -88.75 -51.37 5.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.392 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -178.8 -61.66 0.07 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.531 1.145 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.468 ' O ' ' CG ' ' A' ' 43' ' ' LYS . 24.0 t80 -58.7 -64.31 0.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 0.733 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.458 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 35.7 mt-30 -48.2 -28.02 2.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.411 ' CG ' HD12 ' A' ' 71' ' ' ILE . 15.8 ttp180 -65.35 -50.2 66.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 40' ' ' PHE . 5.5 ptpt -60.55 -29.01 68.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.458 ' CD1' ' HA ' ' A' ' 41' ' ' GLN . 49.3 mt -65.5 -47.59 75.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.49 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 96.6 mt -56.53 -48.16 80.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.444 ' CE1' HG12 ' A' ' 59' ' ' VAL . 21.7 m-85 -64.15 -53.8 43.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.969 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.505 ' O ' ' CB ' ' A' ' 50' ' ' SER . 2.1 mt-30 -49.38 -52.01 31.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.346 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.403 ' C ' ' N ' ' A' ' 50' ' ' SER . 10.3 m -57.12 -67.37 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.397 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.404 HD21 ' CD1' ' A' ' 20' ' ' ILE . 82.1 mt -48.72 -24.11 1.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.5 OUTLIER -54.22 -41.08 68.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.994 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.404 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 41.9 p-90 -110.64 -31.87 7.08 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.575 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -61.38 -33.99 74.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.575 ' CD1' ' HB3' ' A' ' 52' ' ' LYS . 80.5 m-85 -154.91 81.01 4.31 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -37.61 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.486 1.782 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -137.56 117.53 13.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 152.4 -36.34 0.81 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.118 . . . . 0.0 111.007 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.458 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 1.1 pp -130.79 164.09 34.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.361 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -130.42 104.84 7.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.557 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.444 HG12 ' CE1' ' A' ' 46' ' ' TYR . 24.0 t -77.0 124.8 36.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.35 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -132.77 149.34 52.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.4 m -107.34 106.16 16.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.354 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.439 ' CD1' HG23 ' A' ' 72' ' ' VAL . 7.0 mt -101.52 142.47 32.83 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -124.32 131.38 53.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.438 ' OG1' ' N ' ' A' ' 65' ' ' ASP . 2.9 p -129.54 -141.67 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.403 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.438 ' N ' ' OG1' ' A' ' 64' ' ' THR . 1.6 t0 -92.75 -63.38 1.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -93.04 -39.29 11.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.82 -46.79 88.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 70' ' ' HIS . 2.4 mt-10 56.28 -179.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.345 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.07 93.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.459 ' NE2' ' CG2' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -121.67 147.01 46.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.61 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.411 HD12 ' CG ' ' A' ' 42' ' ' ARG . 39.1 mt -76.94 142.73 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.459 ' CG2' ' NE2' ' A' ' 70' ' ' HIS . 9.1 t -138.38 137.85 43.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.53 ' N ' ' CD1' ' A' ' 73' ' ' ILE . 2.2 mp -111.58 113.34 43.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.3 t -97.77 153.06 18.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.997 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.464 ' HG3' ' CZ ' ' A' ' 23' ' ' PHE . 10.8 mtpt -76.73 129.85 36.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 52.6 t -129.16 148.38 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.353 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -131.65 148.24 52.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -62.72 1.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -41.87 -60.42 1.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -49.7 -66.66 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.38 110.79 22.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.241 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.12 -47.23 7.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.987 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 98.78 -147.56 18.55 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.56 1.163 . . . . 0.0 110.96 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 121.55 6.68 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.48 1.779 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 99.0 p -54.24 -21.03 8.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.008 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 74.0 m -77.8 -65.99 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.9 m 50.51 91.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 110.062 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 t -151.4 160.33 43.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 110.011 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.45 -51.34 59.29 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -44.56 -48.03 10.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 0.763 . . . . 0.0 110.008 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t -70.47 -34.99 73.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.947 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.26 -45.35 95.52 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -53.75 -42.9 68.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.408 ' OE1' ' NE2' ' A' ' 41' ' ' GLN . 19.7 mm-40 -77.0 -29.29 55.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -46.36 90.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.86 -48.01 78.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.562 ' CD1' ' OE1' ' A' ' 41' ' ' GLN . 26.5 t80 -57.49 -61.95 2.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 111.042 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.489 ' CD1' ' HA ' ' A' ' 45' ' ' ILE . 5.1 tp -48.07 -43.33 11.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.426 ' N ' HG22 ' A' ' 13' ' ' ILE . 0.5 OUTLIER -60.4 -53.25 59.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -50.53 -23.45 2.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.5 t -84.52 -43.52 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.3 mm -47.58 -58.43 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -43.0 -52.91 5.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -52.62 -42.07 64.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.5 mt -66.21 -62.8 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -42.96 -49.12 6.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.277 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -56.82 -48.7 77.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.519 ' CG ' ' HB2' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -61.32 -38.64 87.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.4 mt -72.67 -21.72 61.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -75.28 -43.41 51.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.0 149.73 46.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.969 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -92.07 -58.16 2.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -47.72 -53.15 15.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -40.91 135.97 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.24 -39.9 3.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -146.3 137.96 24.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.984 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.519 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 15.7 tp -103.36 155.94 18.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -131.46 118.28 19.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.241 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 28.4 mt -89.13 175.73 7.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -81.9 154.69 70.43 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 115.08 4.18 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.525 1.803 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 63.4 m -80.99 167.87 19.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 108.293 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.2 p -75.84 -36.21 59.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.371 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 162.41 -64.63 0.26 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -48.29 -62.93 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.562 ' OE1' ' CD1' ' A' ' 12' ' ' PHE . 17.1 mm-40 -51.79 -35.58 44.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.475 ' HG2' ' CE2' ' A' ' 46' ' ' TYR . 29.1 ttp180 -53.71 -47.73 70.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.443 ' HG2' ' N ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -67.87 -29.38 68.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.494 ' CD1' ' HA ' ' A' ' 41' ' ' GLN . 70.4 mt -65.38 -51.61 59.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.489 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 95.5 mt -53.3 -47.05 57.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.475 ' CE2' ' HG2' ' A' ' 42' ' ' ARG . 20.7 m-85 -63.91 -55.02 25.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -48.28 -53.17 18.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.419 ' HA ' ' NE1' ' A' ' 51' ' ' TRP . 29.9 m -56.59 -67.24 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.418 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 70.5 mt -48.7 -24.33 1.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.5 OUTLIER -54.83 -39.61 68.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.968 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.419 ' NE1' ' HA ' ' A' ' 48' ' ' THR . 42.8 p-90 -110.78 -32.01 7.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 108.018 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.576 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -61.95 -34.24 75.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.576 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 75.2 m-85 -155.56 81.23 3.98 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -45.61 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.64 120.42 25.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 148.95 -34.3 1.12 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.4 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 1.4 pp -131.66 167.53 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -131.27 104.34 6.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.599 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.5 t -78.53 112.91 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.36 150.46 34.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.257 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.448 ' CG2' ' HG3' ' A' ' 69' ' ' ARG . 73.0 m -115.68 104.85 12.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.393 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.567 ' HB2' ' CE1' ' A' ' 70' ' ' HIS . 19.8 mt -100.92 151.36 21.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -124.31 127.77 48.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.26 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.569 HG21 ' CE1' ' A' ' 70' ' ' HIS . 30.1 p -110.28 -148.09 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.409 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -92.72 -64.58 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -97.25 -37.51 10.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.424 ' CB ' ' OG1' ' A' ' 64' ' ' THR . 7.9 mttt -60.39 -31.74 70.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 53.62 -164.25 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.448 ' HG3' ' CG2' ' A' ' 61' ' ' THR . 0.1 OUTLIER -50.66 110.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.272 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.569 ' CE1' HG21 ' A' ' 64' ' ' THR . 16.7 p-80 -128.26 128.5 44.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.571 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 89.6 mt -70.47 136.11 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 19.4 t -131.61 139.28 51.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.43 ' N ' ' CD1' ' A' ' 73' ' ' ILE . 3.5 mp -112.38 121.24 64.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.4 t -109.03 150.13 28.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.97 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -73.34 129.07 37.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.401 ' CG1' ' N ' ' A' ' 77' ' ' ASP . 96.9 t -127.02 163.94 28.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.401 ' N ' ' CG1' ' A' ' 76' ' ' VAL . 38.8 t70 -147.15 150.27 34.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -66.64 -54.38 23.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -66.78 -70.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.349 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -42.42 -60.87 1.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.2 117.25 30.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.1 t -106.73 -48.21 3.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 117.76 128.56 4.0 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.544 1.153 . . . . 0.0 110.983 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 147.56 33.96 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.565 1.824 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.2 m -93.11 -40.13 10.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.02 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.2 -38.46 43.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.078 . . . . 0.0 110.047 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.934 0 O-C-N 124.453 1.095 . . . . 0.0 111.013 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.83 -58.83 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 0.739 . . . . 0.0 109.975 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.99 -63.17 1.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.991 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -39.07 -59.04 1.83 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.73 -66.78 0.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.748 . . . . 0.0 109.975 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.34 -55.56 1.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.988 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.14 -52.66 3.4 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.58 -50.51 17.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.76 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.43 ' CG ' HD13 ' A' ' 44' ' ' LEU . 4.0 mp0 -68.56 -42.3 78.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -32.64 62.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -72.45 -60.23 2.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.571 ' CE2' ' HG2' ' A' ' 41' ' ' GLN . 7.6 t80 -49.62 -53.39 24.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.491 ' CD1' ' HA ' ' A' ' 45' ' ' ILE . 5.6 tp -55.36 -51.57 55.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.438 ' N ' ' CG2' ' A' ' 13' ' ' ILE . 0.4 OUTLIER -49.43 -55.86 11.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -45.79 -40.59 9.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 19' ' ' LYS . 92.7 t -68.27 -49.06 70.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.6 mm -40.87 -42.17 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -58.79 -47.35 85.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 16' ' ' VAL . 8.0 mttm -55.91 -39.7 71.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.462 HG23 ' CD1' ' A' ' 24' ' ' LEU . 18.5 mt -70.51 -62.56 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 20' ' ' ILE . 8.1 mm-40 -38.25 -57.73 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.89 -51.82 62.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.517 ' CG ' ' HB2' ' A' ' 32' ' ' LEU . 2.4 t80 -57.09 -27.01 61.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.462 ' CD1' HG23 ' A' ' 20' ' ' ILE . 17.1 mt -86.0 -15.95 39.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -81.26 -35.41 31.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.78 145.2 47.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.981 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.6 -36.04 13.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.26 -48.83 66.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -49.77 129.34 19.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -115.49 -33.85 5.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.339 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.18 129.21 16.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.517 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 32.4 tp -96.55 162.09 13.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -129.08 114.3 16.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.9 mt -88.71 161.49 16.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -72.97 151.4 90.65 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 109.67 2.97 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.484 1.781 . . . . 0.0 111.049 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 95.0 m -74.18 168.09 20.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 108.272 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.1 p -79.07 -44.84 21.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.38 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -179.43 -62.77 0.07 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.549 1.155 . . . . 0.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.421 ' O ' ' CG ' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -57.19 -66.04 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 0.74 . . . . 0.0 110.976 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.571 ' HG2' ' CE2' ' A' ' 12' ' ' PHE . 6.2 mp0 -42.42 -43.11 3.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.323 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.74 -51.7 59.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -66.93 -28.96 68.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.525 ' CD1' ' HA ' ' A' ' 41' ' ' GLN . 67.5 mt -65.07 -53.94 37.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.491 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 97.2 mt -50.37 -52.44 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.43 ' CE1' HG13 ' A' ' 59' ' ' VAL . 24.4 m-85 -59.47 -49.87 76.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.435 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.2 OUTLIER -49.85 -52.44 32.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.268 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.5 m -61.07 -64.24 1.02 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 110.344 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.437 HD21 ' CD1' ' A' ' 20' ' ' ILE . 86.6 mt -48.41 -24.24 1.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.4 OUTLIER -54.21 -40.96 68.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 109.98 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.45 ' CZ3' ' CG ' ' A' ' 52' ' ' LYS . 46.1 p-90 -110.99 -32.03 6.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 108.014 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.569 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -57.84 -42.12 83.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.569 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 79.7 m-85 -151.96 79.85 6.22 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -43.04 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.499 1.789 . . . . 0.0 111.004 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.83 108.8 10.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.08 -33.49 0.43 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.468 1.105 . . . . 0.0 110.962 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.44 ' C ' ' CG2' ' A' ' 76' ' ' VAL . 1.5 pp -133.79 164.07 35.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 0.79 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.436 ' HB2' ' CG2' ' A' ' 76' ' ' VAL . 12.0 t60 -128.28 102.09 6.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.563 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.43 HG13 ' CE1' ' A' ' 46' ' ' TYR . 39.2 t -78.36 111.73 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.418 ' HB3' ' NE2' ' A' ' 58' ' ' HIS . 17.4 pt-20 -114.54 154.17 28.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.404 ' CG2' ' HG3' ' A' ' 69' ' ' ARG . 6.1 m -108.63 105.63 15.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.39 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.522 ' HB2' ' CD2' ' A' ' 70' ' ' HIS . 33.6 mt -97.88 142.26 29.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -123.52 130.88 53.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.505 ' OG1' ' CB ' ' A' ' 67' ' ' LYS . 30.2 p -129.0 -147.64 0.35 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 110.376 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.447 ' N ' ' HG1' ' A' ' 64' ' ' THR . 0.8 OUTLIER -92.81 -63.17 1.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.0 pttt -89.41 -41.56 12.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.351 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.505 ' CB ' ' OG1' ' A' ' 64' ' ' THR . 0.0 OUTLIER -59.29 -58.88 6.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 70' ' ' HIS . 0.1 OUTLIER 71.44 -174.17 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.404 ' HG3' ' CG2' ' A' ' 61' ' ' THR . 0.0 OUTLIER -49.58 92.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.343 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.522 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -119.64 145.93 46.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.597 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 94.9 mt -76.65 143.34 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.264 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.459 HG21 ' CD1' ' A' ' 62' ' ' LEU . 3.0 t -138.42 130.38 38.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.541 ' N ' ' CD1' ' A' ' 73' ' ' ILE . 2.1 mp -102.29 111.98 33.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.9 m -110.99 131.51 54.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -53.56 142.86 21.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.44 ' CG2' ' C ' ' A' ' 57' ' ' ILE . 91.2 t -123.84 163.58 23.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.402 ' N ' ' CG1' ' A' ' 76' ' ' VAL . 17.3 t0 -147.94 162.85 38.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.17 -35.33 20.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.349 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -65.21 -25.77 67.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -58.71 -58.45 8.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.55 110.99 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 61.6 p -69.87 -38.12 76.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -88.73 178.98 45.73 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.128 . . . . 0.0 111.037 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 157.42 42.58 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.491 1.785 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.1 t -83.25 -60.2 2.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.009 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.64 -56.49 20.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 m -125.46 117.99 24.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.764 . . . . 0.0 109.987 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.3 t -156.83 112.96 2.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.955 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.54 -58.62 4.12 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.522 1.139 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.5 m -41.19 -67.73 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 110.033 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -58.24 -48.47 80.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.998 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.92 -34.49 0.29 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.449 1.093 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -56.04 -64.99 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.755 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -69.9 -27.02 64.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -53.32 -42.08 66.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -68.5 -39.17 81.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.406 ' CZ ' ' HB3' ' A' ' 41' ' ' GLN . 9.9 t80 -65.7 -55.64 16.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.466 ' CD1' ' HA ' ' A' ' 45' ' ' ILE . 6.6 tp -55.93 -49.34 75.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.408 ' N ' HG21 ' A' ' 13' ' ' ILE . 11.4 t70 -50.4 -54.78 19.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -47.5 -40.39 18.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.469 HG12 ' CD2' ' A' ' 34' ' ' LEU . 98.4 t -67.09 -49.6 71.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 16' ' ' VAL . 7.5 mm -40.68 -49.17 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -52.28 -51.02 60.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -55.51 -38.47 69.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.432 ' O ' ' C ' ' A' ' 21' ' ' GLU . 10.3 mt -66.93 -58.73 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 20' ' ' ILE . 1.2 mt-10 -36.28 -64.83 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 25' ' ' GLN . 10.1 t0 -46.51 -58.98 3.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.505 ' CE2' HG21 ' A' ' 73' ' ' ILE . 1.2 t80 -49.39 -22.17 1.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.1 mt -93.65 -28.39 16.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 22' ' ' ASP . 0.6 OUTLIER -83.5 -13.55 54.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -90.42 140.76 29.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.995 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.6 pt-20 -88.81 -37.83 15.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 29' ' ' LYS . 4.0 mt-10 -67.23 -54.84 17.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 28' ' ' GLU . 26.4 mttt -40.16 127.18 2.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -116.39 -33.16 5.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 110.34 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.32 123.34 11.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.993 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.481 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 20.5 tp -88.79 147.17 24.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.071 . . . . 0.0 109.354 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -124.42 117.22 23.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.469 ' CD2' HG12 ' A' ' 16' ' ' VAL . 31.0 mt -96.15 174.82 6.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -83.42 150.03 59.29 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 123.43 7.91 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.525 1.802 . . . . 0.0 110.973 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 87.2 m -90.1 157.1 17.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 108.349 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.9 t -65.85 -25.77 67.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.375 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 151.53 -48.73 0.55 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.111 . . . . 0.0 111.042 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.86 -64.45 0.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 0.772 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.406 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -50.75 -31.35 16.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.417 ' CG ' HD11 ' A' ' 71' ' ' ILE . 8.6 ttp180 -59.71 -52.13 66.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 110.256 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.24 -35.09 71.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 109.344 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.7 mt -59.71 -60.93 3.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.466 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 97.4 mt -43.28 -55.08 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.45 ' CE1' HG13 ' A' ' 59' ' ' VAL . 31.7 m-85 -62.02 -34.3 75.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -66.82 -36.53 82.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.406 HG21 ' CG ' ' A' ' 52' ' ' LYS . 3.7 m -78.89 -65.22 1.02 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.406 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.418 HD12 ' CG2' ' A' ' 45' ' ' ILE . 64.6 mt -48.47 -24.31 1.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.5 -42.06 66.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.993 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.417 ' CZ3' ' CG ' ' A' ' 52' ' ' LYS . 47.1 p-90 -110.61 -31.58 7.18 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.569 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -59.37 -38.37 80.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.251 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.569 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 64.9 m-85 -152.75 80.24 5.64 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -41.16 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.496 1.788 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.33 113.13 11.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.09 -32.43 0.55 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.3 pp -132.03 166.91 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -128.37 111.67 13.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.591 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.45 HG13 ' CE1' ' A' ' 46' ' ' TYR . 26.3 t -91.01 131.55 37.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -141.64 151.23 42.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.464 ' CG2' ' HG2' ' A' ' 69' ' ' ARG . 98.3 m -103.6 105.21 15.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.425 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.451 HD11 ' CG1' ' A' ' 72' ' ' VAL . 16.7 mt -99.62 139.29 35.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.349 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -124.29 127.91 48.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.297 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.506 ' OG1' ' CB ' ' A' ' 67' ' ' LYS . 23.7 p -120.8 -149.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.388 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.456 ' N ' ' HG1' ' A' ' 64' ' ' THR . 1.9 t70 -92.75 -63.19 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -89.27 -42.14 11.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.506 ' CB ' ' OG1' ' A' ' 64' ' ' THR . 1.6 tttt -58.26 -49.96 75.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 68.15 168.67 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.464 ' HG2' ' CG2' ' A' ' 61' ' ' THR . 0.0 OUTLIER -45.28 108.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.245 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.425 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER -136.69 145.47 44.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 109.623 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.417 HD11 ' CG ' ' A' ' 42' ' ' ARG . 92.1 mt -69.36 134.71 29.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.451 ' CG1' HD11 ' A' ' 62' ' ' LEU . 2.9 t -133.79 136.81 53.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.505 HG21 ' CE2' ' A' ' 23' ' ' PHE . 4.1 mp -110.08 153.61 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.75 161.67 35.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -83.76 124.25 30.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.437 HG11 ' N ' ' A' ' 77' ' ' ASP . 61.8 t -123.78 157.09 30.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.437 ' N ' HG11 ' A' ' 76' ' ' VAL . 19.8 t70 -137.82 150.21 46.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.79 -63.04 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -41.82 -57.22 2.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.278 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.9 -69.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.344 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.82 122.44 8.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 110.349 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.7 t -60.11 -49.83 76.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 109.975 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 146.52 149.07 4.9 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.532 1.145 . . . . 0.0 110.96 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 83.35 1.84 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.496 1.787 . . . . 0.0 111.052 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.6 t -59.55 -61.61 2.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.017 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.6 t -52.87 -56.32 16.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.95 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.46 151.41 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 0.791 . . . . 0.0 110.003 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.9 m -69.7 -56.59 6.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 110.026 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.47 -57.69 8.06 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.443 1.09 . . . . 0.0 110.958 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -43.2 -60.62 1.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 0.764 . . . . 0.0 110.028 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.07 -63.49 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.978 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.76 -45.62 3.66 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.509 1.131 . . . . 0.0 111.067 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -42.75 -56.95 2.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.763 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.33 -36.6 58.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.354 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.25 -41.07 49.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -68.6 -45.47 71.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.451 ' CE2' ' HG2' ' A' ' 41' ' ' GLN . 15.8 t80 -57.71 -57.63 11.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.476 ' CD1' ' HA ' ' A' ' 45' ' ' ILE . 4.8 tp -53.18 -43.84 50.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.355 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.417 ' N ' HG22 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -55.7 -57.03 13.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -45.17 -37.64 4.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.263 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.6 t -68.72 -49.12 67.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.1 mm -42.27 -46.37 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -52.5 -49.57 64.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -56.6 -47.69 79.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.443 ' CG2' HD13 ' A' ' 24' ' ' LEU . 5.7 mt -59.2 -63.85 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -39.29 -54.76 1.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -54.81 -53.0 60.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.518 ' CG ' ' HB2' ' A' ' 32' ' ' LEU . 1.1 t80 -55.05 -37.4 66.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.443 HD13 ' CG2' ' A' ' 20' ' ' ILE . 27.2 mt -70.42 -34.73 72.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -63.73 -47.65 80.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.32 145.55 31.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.036 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.43 -54.42 3.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -51.53 -51.12 57.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.355 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 28' ' ' GLU . 19.1 mttt -40.25 129.42 2.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -117.17 -35.61 4.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.3 124.76 12.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.981 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.518 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 21.3 tp -91.58 151.86 20.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.244 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -126.11 118.94 26.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.341 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.7 mt -94.0 173.56 7.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.16 153.0 66.05 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.97 4.74 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.525 1.803 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 85.9 m -82.79 175.81 9.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 108.271 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.0 p -81.83 -39.3 24.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.36 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 165.51 -61.67 0.23 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -50.72 -63.89 0.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 111.048 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.477 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 0.3 OUTLIER -48.69 -43.84 37.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.266 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.401 ' CD ' HD11 ' A' ' 71' ' ' ILE . 2.0 tpp180 -47.85 -46.29 31.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.438 ' HG2' ' N ' ' A' ' 44' ' ' LEU . 0.7 OUTLIER -69.12 -27.84 65.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.477 ' CD1' ' HA ' ' A' ' 41' ' ' GLN . 61.0 mt -69.27 -46.69 66.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.476 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 88.2 mt -57.91 -42.38 82.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -68.25 -57.54 5.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.112 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.495 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -45.01 -53.04 8.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.137 . . . . 0.0 110.281 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.427 ' C ' ' N ' ' A' ' 50' ' ' SER . 3.4 m -56.75 -70.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.383 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 93.0 mt -45.81 -25.84 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.4 OUTLIER -53.62 -40.52 65.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.052 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.437 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 43.6 p-90 -111.11 -32.15 6.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 108.008 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.578 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -60.78 -34.81 75.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.578 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 78.5 m-85 -155.83 81.63 3.81 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -39.34 1.26 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.514 1.797 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.97 115.29 12.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 155.57 -37.37 0.63 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.412 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 1.3 pp -128.46 162.52 34.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.45 ' NE2' ' CD ' ' A' ' 60' ' ' GLU . 2.0 t60 -125.45 111.99 15.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.587 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 41.0 t -90.46 130.26 39.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.45 ' CD ' ' NE2' ' A' ' 58' ' ' HIS . 5.9 pt-20 -141.27 147.1 37.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.48 ' CG2' ' HG2' ' A' ' 69' ' ' ARG . 23.5 m -105.9 109.86 21.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.35 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.1 mt -107.29 144.15 34.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -123.91 128.8 49.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.103 . . . . 0.0 110.302 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.5 p -119.93 -142.41 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -92.71 -62.95 1.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -95.32 -37.26 11.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 68' ' ' GLU . 0.5 OUTLIER -66.43 -25.12 66.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 67' ' ' LYS . 0.4 OUTLIER 42.61 -165.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.585 1.178 . . . . 0.0 110.311 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.48 ' HG2' ' CG2' ' A' ' 61' ' ' THR . 0.4 OUTLIER -63.11 100.35 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.439 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER -125.79 144.34 50.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.58 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.401 HD11 ' CD ' ' A' ' 42' ' ' ARG . 28.9 mt -71.54 135.99 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.421 HG22 ' NE2' ' A' ' 70' ' ' HIS . 2.9 t -134.04 137.29 52.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.428 ' N ' HD12 ' A' ' 73' ' ' ILE . 4.1 mp -110.2 153.5 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.77 159.74 40.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.956 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -82.11 122.94 28.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.441 HG22 ' CB ' ' A' ' 58' ' ' HIS . 93.6 t -121.65 163.37 19.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -151.98 162.48 41.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.28 -48.14 44.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -66.62 -22.52 66.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -66.27 -65.99 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.304 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -64.96 137.23 57.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.4 t -98.18 -49.15 4.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.008 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -41.79 118.04 1.4 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 165.74 30.68 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.458 1.767 . . . . 0.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.8 p -74.32 -59.74 2.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.989 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.16 -63.3 1.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.018 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.47 1.107 . . . . 0.0 110.985 179.96 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -120.28 83.64 2.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 0.778 . . . . 0.0 110.002 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.95 138.65 54.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.048 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.83 -58.42 3.25 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.48 -31.95 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 0.786 . . . . 0.0 109.968 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 t -92.64 -46.29 7.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.987 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.39 -26.26 2.34 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.12 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -66.67 -61.91 1.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.471 ' CB ' HD11 ' A' ' 44' ' ' LEU . 10.5 pt20 -68.33 -25.11 64.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -38.83 71.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.6 mttt -72.87 -39.88 66.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.068 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.445 ' CE2' ' HG2' ' A' ' 41' ' ' GLN . 9.5 t80 -63.73 -54.24 38.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.419 ' CG2' ' N ' ' A' ' 14' ' ' ASP . 7.2 tp -55.57 -50.93 63.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.419 ' N ' ' CG2' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -49.43 -56.34 10.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.275 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -46.44 -39.52 10.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.296 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' ILE . 89.9 t -68.93 -48.08 72.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' VAL . 8.2 mm -40.53 -49.55 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -50.74 -56.5 11.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -51.05 -45.64 61.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.47 ' CG2' HD12 ' A' ' 24' ' ' LEU . 29.7 mt -58.53 -55.96 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -50.98 -57.74 7.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -48.64 -45.74 38.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.562 ' CE1' ' HE3' ' A' ' 75' ' ' LYS . 0.9 OUTLIER -63.66 -43.07 97.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.967 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.47 HD12 ' CG2' ' A' ' 20' ' ' ILE . 27.2 mt -65.68 -33.13 75.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -59.4 -54.75 43.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.31 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.55 147.52 21.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -92.51 -65.31 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -41.15 -44.65 2.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.1 mttm -40.17 132.99 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.02 -38.47 3.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.78 137.09 24.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.987 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.514 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 17.1 tp -104.26 154.97 19.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -122.59 124.22 42.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.4 mt -100.19 171.39 7.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -78.05 152.33 79.47 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 118.11 5.15 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.543 1.812 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 33.7 m -82.38 157.41 23.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 108.286 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.04 -24.55 58.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.397 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 153.34 -65.52 0.34 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.466 1.104 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -52.26 -63.45 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.445 ' HG2' ' CE2' ' A' ' 12' ' ' PHE . 1.3 mp0 -48.25 -42.46 30.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.72 -53.01 20.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.3 mttt -57.91 -40.94 81.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.471 HD11 ' CB ' ' A' ' 9' ' ' GLN . 32.4 mt -52.79 -55.4 23.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.409 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 96.8 mt -47.85 -59.74 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.404 ' OH ' ' OG1' ' A' ' 61' ' ' THR . 20.5 m-85 -55.34 -37.57 67.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.39 -48.3 80.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.433 ' CG2' ' HG3' ' A' ' 52' ' ' LYS . 2.3 m -66.96 -59.37 3.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.333 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.6 mt -50.89 -22.3 2.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.1 -41.93 72.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.505 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 48.1 p-90 -110.61 -31.93 7.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 107.997 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.572 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -59.91 -37.53 79.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.572 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 52.8 m-85 -158.44 79.96 3.03 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -45.37 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.48 1.779 . . . . 0.0 111.004 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.2 120.12 24.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 148.71 -32.45 1.2 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.417 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 1.3 pp -132.11 162.04 40.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 0.76 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.462 ' C ' ' CD2' ' A' ' 58' ' ' HIS . 1.6 t60 -125.93 113.94 17.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.633 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.5 t -94.31 125.42 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.69 151.96 49.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.44 ' CG2' ' HG2' ' A' ' 69' ' ' ARG . 47.4 m -106.12 105.88 16.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.425 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.7 mt -99.19 141.7 31.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -124.2 131.43 53.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.428 ' OG1' ' N ' ' A' ' 65' ' ' ASP . 4.7 p -131.13 -139.73 0.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.428 ' N ' ' OG1' ' A' ' 64' ' ' THR . 6.7 t70 -92.63 -63.32 1.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.358 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.38 -37.74 10.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.405 ' O ' ' CG ' ' A' ' 68' ' ' GLU . 0.6 OUTLIER -63.8 -33.27 75.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 10.2 pt-20 43.68 -166.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.272 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.44 ' HG2' ' CG2' ' A' ' 61' ' ' THR . 1.3 ttt180 -57.68 89.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.469 ' NE2' ' CG2' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -116.47 146.61 42.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.583 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.8 mt -74.59 141.81 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.469 ' CG2' ' NE2' ' A' ' 70' ' ' HIS . 4.2 t -138.22 135.66 44.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.426 1.079 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.44 HD13 ' N ' ' A' ' 73' ' ' ILE . 3.6 mp -108.77 148.07 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 t -136.25 157.35 47.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 110.0 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.562 ' HE3' ' CE1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -80.67 125.82 30.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.3 t -121.46 156.71 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -155.5 22.35 0.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 109.269 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -57.08 -71.83 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -40.37 -45.9 2.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -65.39 -62.13 1.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -59.65 161.23 6.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 37.8 m -67.38 -49.37 64.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.986 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 62.04 -145.51 49.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.427 1.079 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 179.78 5.74 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.781 . . . . 0.0 111.005 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.1 t -58.2 -60.22 4.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.034 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.2 t -44.75 -58.43 3.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.961 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 54.97 93.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 0.765 . . . . 0.0 109.99 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.4 p -117.17 169.38 9.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.03 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.15 -67.37 1.99 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.445 1.091 . . . . 0.0 111.034 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m -40.28 -63.3 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 0.776 . . . . 0.0 109.992 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 9' ' ' GLN . 27.0 m -52.12 -57.33 9.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.976 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -41.16 -27.89 0.25 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.412 ' N ' ' C ' ' A' ' 6' ' ' SER . 2.2 t70 -65.83 -50.8 63.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 0.778 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 6' ' ' SER . 20.2 pt20 -86.04 -15.79 40.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -40.95 91.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -70.25 -40.12 74.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.441 ' CD1' ' N ' ' A' ' 13' ' ' ILE . 1.9 t80 -63.74 -53.54 49.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.441 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 6.6 tp -57.93 -48.67 83.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.41 ' N ' HG22 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -51.14 -53.14 37.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -50.29 -38.55 41.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.319 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 17' ' ' ILE . 88.7 t -67.93 -50.13 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 16' ' ' VAL . 5.9 mm -40.12 -51.69 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -49.48 -49.13 46.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 110.271 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -56.56 -47.71 78.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.474 ' CG2' HD12 ' A' ' 24' ' ' LEU . 69.1 mt -61.54 -66.96 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 20' ' ' ILE . 4.4 mm-40 -38.81 -51.34 1.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.239 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -57.3 -50.33 73.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.52 ' CG ' ' HB2' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -59.2 -35.16 73.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.474 HD12 ' CG2' ' A' ' 20' ' ' ILE . 36.6 mt -75.68 -25.98 57.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -69.48 -45.52 68.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.295 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 t -60.79 144.3 52.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.996 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -90.54 -39.7 12.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.322 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -66.37 -54.34 25.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 110.259 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -40.37 128.34 2.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -111.95 -34.67 5.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.37 144.66 30.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.52 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 37.5 tp -114.08 153.72 28.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -125.5 116.39 21.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.427 ' CD1' HD13 ' A' ' 73' ' ' ILE . 27.3 mt -85.48 175.5 8.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -78.2 157.13 78.63 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.353 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 117.49 4.93 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.526 1.803 . . . . 0.0 110.972 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 61.7 m -83.45 169.26 15.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 108.331 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.97 -33.29 14.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.371 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 164.29 -64.14 0.24 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.5 -63.28 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 44' ' ' LEU . 10.5 mt-30 -45.74 -52.37 11.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.278 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.412 ' HD3' ' NH2' ' A' ' 69' ' ' ARG . 50.2 ttp85 -42.02 -53.47 3.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.347 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.88 -38.45 70.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 41' ' ' GLN . 33.2 mt -60.66 -60.2 4.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 92.8 mt -42.92 -58.49 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.522 ' CE1' HG12 ' A' ' 59' ' ' VAL . 22.2 m-85 -56.48 -40.38 74.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.1 OUTLIER -60.45 -54.0 50.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.413 HG21 ' CG1' ' A' ' 13' ' ' ILE . 3.2 m -58.74 -59.19 5.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.39 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.461 HD23 ' CD1' ' A' ' 20' ' ' ILE . 76.1 mt -53.74 -20.13 5.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 1.3 t -57.96 -39.56 78.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 110.012 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.475 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 42.3 p-90 -111.88 -32.68 6.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 108.006 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.563 ' HB3' ' CE2' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -60.15 -31.24 69.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.563 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 64.4 m-85 -158.0 82.1 2.92 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -46.44 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.533 1.807 . . . . 0.0 110.965 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.15 117.21 18.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 154.78 -38.86 0.65 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.526 1.142 . . . . 0.0 111.011 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.502 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 1.1 pp -129.2 168.49 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.256 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.439 ' C ' ' CD2' ' A' ' 58' ' ' HIS . 1.9 t60 -134.23 109.58 8.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.574 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.522 HG12 ' CE1' ' A' ' 46' ' ' TYR . 56.8 t -82.25 125.05 39.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.43 1.081 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.409 ' OE1' ' CD2' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -135.99 146.63 47.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 13.2 m -101.61 104.43 15.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.419 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.439 ' HB2' ' CD2' ' A' ' 70' ' ' HIS . 55.6 mt -88.97 152.89 21.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.475 ' HG2' ' N ' ' A' ' 64' ' ' THR . 6.6 tt0 -93.94 146.02 24.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.475 ' N ' ' HG2' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -117.37 -161.17 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.379 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -90.08 -63.86 1.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -95.25 -38.65 10.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.475 ' O ' ' CB ' ' A' ' 68' ' ' GLU . 4.3 mttt -53.03 -47.94 67.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.475 ' CB ' ' O ' ' A' ' 67' ' ' LYS . 13.2 tt0 85.15 -17.44 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.474 ' CD ' ' C ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER 178.65 155.35 0.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.499 ' NE2' ' CG2' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -167.04 145.18 4.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.613 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 38.6 mt -75.16 141.8 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.258 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.499 ' CG2' ' NE2' ' A' ' 70' ' ' HIS . 3.7 t -138.46 146.86 25.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.545 ' N ' ' CD1' ' A' ' 73' ' ' ILE . 2.0 mp -119.21 122.48 69.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.7 t -108.87 153.57 23.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.991 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.37 128.09 33.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.418 HG21 ' N ' ' A' ' 58' ' ' HIS . 92.6 t -127.59 163.06 31.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -140.11 156.28 46.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.5 -59.32 5.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.98 -57.48 3.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.07 -66.78 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.7 114.43 28.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.63 -48.26 11.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.021 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 147.83 -170.01 28.56 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 99.14 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 92.7 p -39.77 -42.71 1.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.024 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.78 -62.39 1.43 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.965 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.488 1.117 . . . . 0.0 111.027 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.88 121.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.752 . . . . 0.0 110.005 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.4 m 49.36 90.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.978 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.63 -61.67 1.22 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -66.89 -39.63 87.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 110.004 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.18 -49.91 14.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.006 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.06 -32.18 0.36 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.67 -65.05 0.75 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 0.73 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.471 ' CB ' HD11 ' A' ' 44' ' ' LEU . 20.4 pt20 -66.23 -29.75 70.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -36.18 61.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.4 mmtt -76.1 -39.86 54.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.533 ' CE2' ' HG2' ' A' ' 41' ' ' GLN . 9.4 t80 -62.62 -53.81 49.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.454 ' CG2' ' N ' ' A' ' 14' ' ' ASP . 6.4 tp -54.68 -53.01 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.454 ' N ' ' CG2' ' A' ' 13' ' ' ILE . 1.0 OUTLIER -49.35 -54.25 18.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -48.56 -37.07 16.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.293 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 19' ' ' LYS . 96.6 t -72.32 -48.58 47.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 16' ' ' VAL . 9.3 mm -40.19 -46.37 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -52.09 -48.77 64.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 16' ' ' VAL . 21.6 mttt -56.67 -44.9 81.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.3 mt -62.11 -63.66 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.165 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -38.68 -56.25 1.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -54.52 -53.58 52.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.522 ' CG ' ' HB2' ' A' ' 32' ' ' LEU . 1.3 t80 -53.87 -36.18 62.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.6 mt -72.3 -40.41 67.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -56.55 -51.32 69.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.255 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.401 ' CB ' ' HD2' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -54.99 146.78 16.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.0 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -92.27 -57.14 2.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -49.17 -50.97 35.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.401 ' HD2' ' CB ' ' A' ' 26' ' ' SER . 22.3 mttp -40.3 126.05 2.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.8 mmt-85 -115.89 -33.58 5.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.122 . . . . 0.0 110.289 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.06 129.39 16.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.522 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 34.2 tp -97.17 151.49 19.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -127.93 120.69 28.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.356 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 26.6 mt -91.96 175.93 6.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.282 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -86.64 152.72 54.79 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 110.61 3.15 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.525 1.803 . . . . 0.0 110.949 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.4 p -86.76 -168.55 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 108.324 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.414 ' OG1' ' N ' ' A' ' 39' ' ' GLY . 31.1 p -85.1 -62.24 1.58 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.443 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.414 ' N ' ' OG1' ' A' ' 38' ' ' THR . . . -178.39 -63.47 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -41.04 -61.91 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 0.0 111.013 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.533 ' HG2' ' CE2' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -49.29 -47.49 46.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -43.96 -50.34 8.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -60.44 -39.73 88.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.471 HD11 ' CB ' ' A' ' 9' ' ' GLN . 28.6 mt -59.61 -48.26 82.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 67.0 mt -53.49 -57.53 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -57.76 -42.85 84.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.483 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.4 OUTLIER -57.39 -52.43 65.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.448 HG21 ' CG1' ' A' ' 13' ' ' ILE . 2.3 m -59.73 -63.04 1.44 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.137 . . . . 0.0 110.391 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.4 mt -49.52 -23.36 1.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 1.0 OUTLIER -54.37 -41.9 69.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.523 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 48.7 p-90 -110.77 -32.28 6.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 107.98 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.57 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -59.02 -36.99 75.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.57 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 58.8 m-85 -156.69 79.51 3.78 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -38.29 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.485 1.781 . . . . 0.0 111.033 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.31 117.79 14.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 151.96 -36.99 0.82 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.477 1.11 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.47 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 1.1 pp -129.47 165.95 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.459 ' CB ' HG23 ' A' ' 76' ' ' VAL . 1.6 t60 -126.99 118.24 24.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.613 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 62.1 t -97.11 133.39 38.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.448 ' OE1' ' NE2' ' A' ' 58' ' ' HIS . 2.4 pt-20 -142.09 139.78 32.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.9 m -111.02 125.88 54.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.359 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.638 ' N ' ' CD2' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -126.57 148.81 49.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -116.97 128.12 54.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.34 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.449 ' OG1' ' CB ' ' A' ' 67' ' ' LYS . 50.4 p -112.59 -143.57 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 110.45 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -92.47 -64.52 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.0 pttt -97.1 -37.08 10.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.265 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.449 ' CB ' ' OG1' ' A' ' 64' ' ' THR . 0.8 OUTLIER -61.49 -32.04 72.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 51.69 -171.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 33.4 mtt85 -52.78 99.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.567 ' CE1' ' CG2' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -118.49 147.92 43.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.524 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.406 HG22 ' N ' ' A' ' 72' ' ' VAL . 72.1 mt -86.31 141.22 14.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.567 ' CG2' ' CE1' ' A' ' 70' ' ' HIS . 3.9 t -138.01 137.21 44.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.177 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.433 HD11 ' N ' ' A' ' 73' ' ' ILE . 3.8 mp -109.91 154.71 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.69 163.11 31.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.004 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -86.81 122.15 30.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.253 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.459 HG23 ' CB ' ' A' ' 58' ' ' HIS . 94.0 t -123.07 165.65 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.418 ' N ' ' CG1' ' A' ' 76' ' ' VAL . 1.8 t70 -149.11 159.53 44.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.46 -70.01 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.258 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -45.68 -52.78 10.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -38.91 -57.55 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -64.12 131.46 47.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.99 -49.91 5.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.961 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -51.5 157.5 2.93 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 176.59 9.71 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.788 . . . . 0.0 111.006 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 54.9 p -93.41 -57.44 2.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.0 m -78.5 -57.79 3.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.998 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 t 60.59 90.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 109.946 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.8 m -157.95 88.58 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.97 -68.5 1.43 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.542 1.151 . . . . 0.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -72.75 -63.86 1.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 0.752 . . . . 0.0 110.025 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.78 -48.85 20.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 109.979 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.03 -26.28 1.2 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.584 1.177 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -70.18 -55.29 9.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 109.341 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.456 ' CB ' HD13 ' A' ' 44' ' ' LEU . 0.8 OUTLIER -74.52 -15.45 60.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.51 -42.17 78.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -71.64 -36.15 70.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.544 ' CE2' ' HG2' ' A' ' 41' ' ' GLN . 9.3 t80 -67.68 -55.84 11.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.494 ' CD1' ' HA ' ' A' ' 45' ' ' ILE . 6.3 tp -53.89 -52.47 35.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.448 ' N ' ' CG2' ' A' ' 13' ' ' ILE . 1.0 OUTLIER -47.95 -56.89 6.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -45.68 -40.14 8.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.331 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 19' ' ' LYS . 95.3 t -70.96 -46.33 68.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.0 mm -41.71 -39.34 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -60.79 -46.6 89.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 16' ' ' VAL . 8.7 mttm -58.01 -47.91 81.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.462 ' CD1' HD22 ' A' ' 49' ' ' LEU . 72.7 mt -61.84 -61.88 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' ILE . 1.7 mt-10 -37.07 -63.38 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.79 -56.07 9.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.581 ' CE1' ' HE3' ' A' ' 75' ' ' LYS . 1.9 t80 -51.81 -36.66 48.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.41 ' CD1' ' CG2' ' A' ' 20' ' ' ILE . 18.1 mt -73.27 -36.59 66.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -63.77 -46.28 85.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.9 145.84 39.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.964 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -92.51 -53.99 3.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -51.54 -49.49 61.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -41.12 132.16 2.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.03 -40.21 3.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.353 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.97 125.0 13.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.996 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.566 ' HB2' ' CD1' ' A' ' 23' ' ' PHE . 14.9 tp -96.37 130.06 43.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -103.83 120.87 41.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 27.0 mt -91.85 170.69 9.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -83.84 148.49 54.36 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 114.56 4.05 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.43 1.753 . . . . 0.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.6 p -90.19 -158.85 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 108.308 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 39' ' ' GLY . 20.9 p -85.75 -61.64 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.377 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.448 ' N ' ' OG1' ' A' ' 38' ' ' THR . . . 175.77 -49.5 0.12 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.461 1.101 . . . . 0.0 111.046 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -54.23 -59.54 4.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 111.006 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.544 ' HG2' ' CE2' ' A' ' 12' ' ' PHE . 5.8 mp0 -49.73 -51.42 38.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.418 ' HG3' ' CD1' ' A' ' 71' ' ' ILE . 25.5 ttp85 -42.37 -50.88 5.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.325 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -58.19 -38.9 77.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' A' ' 41' ' ' GLN . 34.8 mt -59.56 -50.39 74.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.494 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 91.3 mt -52.86 -58.03 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.148 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.458 ' CE1' ' CG1' ' A' ' 59' ' ' VAL . 17.4 m-85 -54.72 -44.36 73.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.507 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -57.97 -53.12 61.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.253 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 m -58.07 -59.81 4.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.397 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.462 HD22 ' CD1' ' A' ' 20' ' ' ILE . 59.5 mt -54.54 -19.99 6.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 1.0 OUTLIER -58.35 -38.07 76.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.994 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.553 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 54.4 p-90 -111.93 -32.25 6.66 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.586 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.7 OUTLIER -61.92 -31.84 72.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.586 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 63.3 m-85 -160.5 84.07 2.02 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -35.82 2.97 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.518 1.799 . . . . 0.0 110.974 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.3 104.64 5.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 175.25 -46.04 0.13 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.473 HD12 ' CB ' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -131.34 -178.06 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 109.327 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.451 ' C ' ' CD2' ' A' ' 58' ' ' HIS . 1.8 t-160 -142.12 110.59 6.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.564 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.458 ' CG1' ' CE1' ' A' ' 46' ' ' TYR . 22.0 t -83.63 127.49 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -139.24 140.99 37.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.361 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.4 m -96.15 104.66 16.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 110.4 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.9 mt -97.28 134.51 40.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -114.5 128.13 56.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.509 ' OG1' ' CB ' ' A' ' 67' ' ' LYS . 30.3 p -123.18 -147.25 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 110.431 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.453 ' N ' ' HG1' ' A' ' 64' ' ' THR . 3.8 t0 -88.44 -63.32 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.234 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -95.4 -39.15 10.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.509 ' CB ' ' OG1' ' A' ' 64' ' ' THR . 0.0 OUTLIER -58.72 -48.34 81.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 69' ' ' ARG . 41.7 mt-10 59.88 169.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.461 ' O ' ' CG ' ' A' ' 69' ' ' ARG . 17.6 ptt180 -38.36 107.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.457 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.2 OUTLIER -136.23 143.28 44.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.628 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.418 ' CD1' ' HG3' ' A' ' 42' ' ' ARG . 86.9 mt -69.0 138.99 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.429 HG21 ' NE2' ' A' ' 70' ' ' HIS . 2.6 t -133.85 131.14 56.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.435 HD11 ' N ' ' A' ' 73' ' ' ILE . 3.9 mp -104.24 111.95 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.1 m -109.0 129.36 55.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.964 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.581 ' HE3' ' CE1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -53.52 132.11 39.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.479 ' CG1' ' N ' ' A' ' 77' ' ' ASP . 53.2 t -128.72 165.62 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.479 ' N ' ' CG1' ' A' ' 76' ' ' VAL . 3.7 t70 -148.58 167.48 25.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.38 -60.16 2.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.41 ' OE1' ' N ' ' A' ' 80' ' ' GLU . 0.1 OUTLIER -42.01 -37.62 1.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.241 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.41 ' N ' ' OE1' ' A' ' 79' ' ' GLU . 0.3 OUTLIER -49.0 -59.96 3.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 110.24 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.49 141.52 38.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.3 t -61.56 -49.95 74.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.016 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 129.09 111.27 1.53 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 99.85 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.435 1.755 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 57.9 p -46.27 -59.29 3.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.959 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.3 m -71.26 -59.95 2.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.016 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.47 1.107 . . . . 0.0 110.978 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t 67.44 123.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.763 . . . . 0.0 109.995 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.88 157.17 17.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.944 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.33 -69.03 1.46 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.48 1.113 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.3 -63.19 1.0 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 0.773 . . . . 0.0 110.002 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.3 t -40.24 -57.5 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.949 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.46 -47.5 87.68 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.473 1.108 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -54.49 -55.41 29.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 0.769 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -64.75 -19.89 66.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.54 -35.65 79.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.7 mttp -75.81 -37.94 58.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.564 ' CE2' ' HG2' ' A' ' 41' ' ' GLN . 4.3 t80 -64.56 -51.87 60.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.479 ' CD1' ' HA ' ' A' ' 45' ' ' ILE . 4.9 tp -58.35 -53.8 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.461 ' N ' ' CG2' ' A' ' 13' ' ' ILE . 11.0 t0 -45.88 -54.54 8.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -48.02 -44.0 30.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.416 HG13 ' CD1' ' A' ' 34' ' ' LEU . 96.1 t -62.43 -51.01 77.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 16' ' ' VAL . 6.8 mm -39.91 -55.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -41.49 -50.54 3.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.27 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -60.71 -45.09 95.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.427 ' CG2' HD13 ' A' ' 24' ' ' LEU . 72.0 mt -59.96 -66.25 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -38.61 -57.61 1.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.5 -54.77 28.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.509 ' CD1' ' HB2' ' A' ' 32' ' ' LEU . 2.2 t80 -53.27 -37.26 62.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.427 HD13 ' CG2' ' A' ' 20' ' ' ILE . 35.2 mt -71.71 -32.23 67.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -68.5 -58.81 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.242 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.26 147.23 1.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.988 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.14 -59.57 2.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.71 -47.9 20.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -42.39 127.89 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -117.42 -35.66 3.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.0 129.7 17.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.963 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.509 ' HB2' ' CD1' ' A' ' 23' ' ' PHE . 26.5 tp -96.35 157.57 15.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -131.08 128.32 39.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.416 ' CD1' HG13 ' A' ' 16' ' ' VAL . 22.3 mt -104.81 166.36 10.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.19 155.67 92.79 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 116.99 4.75 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.471 1.774 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 37.6 m -90.08 175.36 7.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 108.299 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.0 t -89.23 -23.51 22.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.077 . . . . 0.0 110.404 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.13 -74.06 0.27 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.566 ' CD1' ' HD3' ' A' ' 43' ' ' LYS . 43.2 t80 -37.5 -62.3 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 0.752 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.564 ' HG2' ' CE2' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -42.21 -52.46 4.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.46 ' CB ' HD12 ' A' ' 71' ' ' ILE . 12.0 mtt180 -45.75 -50.53 13.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.566 ' HD3' ' CD1' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -58.47 -29.65 66.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.581 1.175 . . . . 0.0 109.334 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 41' ' ' GLN . 26.7 mt -71.1 -48.63 51.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.479 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 89.6 mt -58.41 -48.62 84.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.573 ' CE1' HG11 ' A' ' 59' ' ' VAL . 30.4 m-85 -63.34 -36.39 83.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.497 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.7 OUTLIER -62.3 -52.5 63.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.324 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.453 HG21 ' CE ' ' A' ' 52' ' ' LYS . 1.0 OUTLIER -57.82 -63.78 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.376 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.407 HD22 ' CD1' ' A' ' 20' ' ' ILE . 47.9 mt -49.37 -24.16 1.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.078 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 1.0 OUTLIER -54.23 -40.23 67.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.986 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.547 ' CH2' ' HG3' ' A' ' 52' ' ' LYS . 55.0 p-90 -111.8 -32.15 6.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 108.022 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.585 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.7 OUTLIER -62.63 -44.7 95.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.585 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 72.8 m-85 -154.78 80.83 4.42 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -35.69 2.99 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.526 1.803 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.452 ' CB ' ' HG3' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -135.95 108.0 7.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 172.72 -39.22 0.15 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.502 1.127 . . . . 0.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.459 HD13 ' CB ' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -129.23 -176.92 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.462 0.742 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.403 ' NE2' ' OE1' ' A' ' 60' ' ' GLU . 10.9 t60 -136.94 114.86 11.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.615 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.573 HG11 ' CE1' ' A' ' 46' ' ' TYR . 19.6 t -93.23 135.97 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.403 ' OE1' ' NE2' ' A' ' 58' ' ' HIS . 3.6 pt-20 -143.98 144.05 31.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.8 m -96.32 104.97 16.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.437 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.9 mt -99.84 141.5 32.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -124.35 129.05 50.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.52 ' OG1' ' CB ' ' A' ' 67' ' ' LYS . 27.3 p -124.81 -148.3 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 110.459 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.457 ' N ' ' HG1' ' A' ' 64' ' ' THR . 0.6 OUTLIER -92.05 -63.08 1.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 67' ' ' LYS . 7.7 ptmt -91.23 -41.02 11.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.52 ' CB ' ' OG1' ' A' ' 64' ' ' THR . 0.0 OUTLIER -58.28 -48.42 80.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 62.89 172.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.14 103.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.445 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER -131.6 143.7 50.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.579 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.46 HD12 ' CB ' ' A' ' 42' ' ' ARG . 30.0 mt -71.18 131.18 34.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.428 ' CG2' ' NE2' ' A' ' 70' ' ' HIS . 3.9 t -126.92 140.32 49.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.428 HD13 ' N ' ' A' ' 73' ' ' ILE . 4.7 mp -113.36 153.43 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.88 161.68 35.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.009 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -83.65 124.03 30.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 91.7 t -126.76 154.44 36.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.258 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.52 21.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -96.68 -71.28 0.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.452 ' HG3' ' CB ' ' A' ' 55' ' ' LYS . 2.0 pt-20 -56.12 -18.03 8.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -75.17 -51.51 13.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.6 149.39 24.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.1 m -61.27 -47.01 87.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 84.29 -152.91 28.54 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.47 1.107 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 141.21 26.31 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.5 1.789 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.7 m -92.76 -57.99 2.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 0.0 110.045 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.1 m -77.98 -58.51 3.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.02 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 -179.956 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.0 t 59.84 116.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 0.782 . . . . 0.0 110.044 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.56 126.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.995 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.01 -62.93 1.1 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.71 -66.41 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 m -60.93 -47.02 88.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.034 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -41.27 -29.26 0.36 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 111.034 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -61.84 -59.54 4.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 0.793 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.472 ' CB ' HD11 ' A' ' 44' ' ' LEU . 10.2 pt20 -76.13 -28.53 57.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.273 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.75 -37.99 60.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -73.52 -50.34 21.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.603 ' CE1' ' OE1' ' A' ' 41' ' ' GLN . 9.1 t80 -56.0 -53.7 53.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.479 ' CD1' ' HA ' ' A' ' 45' ' ' ILE . 6.6 tp -54.99 -49.98 66.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.409 ' N ' ' CG2' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -51.33 -56.16 14.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -45.88 -38.29 7.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 17' ' ' ILE . 97.9 t -70.24 -49.07 57.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 16' ' ' VAL . 7.6 mm -40.07 -48.13 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -50.78 -58.19 6.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -51.68 -39.22 57.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.416 ' O ' ' HB3' ' A' ' 23' ' ' PHE . 14.0 mt -65.11 -47.28 88.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -56.08 -52.96 62.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 0.0 110.347 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.421 ' HA ' ' NE2' ' A' ' 25' ' ' GLN . 2.1 t0 -55.67 -31.25 62.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.549 ' CD1' ' HB2' ' A' ' 32' ' ' LEU . 2.0 t80 -77.33 -23.7 50.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.5 mt -93.11 -33.83 13.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.421 ' NE2' ' HA ' ' A' ' 22' ' ' ASP . 1.3 pt20 -66.78 -37.79 85.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.413 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 1.9 t -70.05 152.89 43.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.037 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -92.21 -66.76 0.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -42.86 -49.9 5.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 110.352 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.413 ' CG ' ' HB3' ' A' ' 26' ' ' SER . 36.6 mttt -40.1 126.45 2.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.04 -36.7 3.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.16 129.76 16.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.033 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.549 ' HB2' ' CD1' ' A' ' 23' ' ' PHE . 17.9 tp -96.25 157.28 15.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -129.07 115.76 18.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 110.315 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.472 ' CD1' HD13 ' A' ' 73' ' ' ILE . 27.4 mt -94.71 176.68 6.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -87.38 152.19 52.06 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 115.75 4.38 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.498 1.788 . . . . 0.0 111.031 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 67.6 m -78.01 159.4 28.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 108.31 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.3 t -67.33 -21.94 65.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.374 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 146.46 -60.32 0.48 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -52.06 -61.38 2.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 0.756 . . . . 0.0 110.961 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.603 ' OE1' ' CE1' ' A' ' 12' ' ' PHE . 20.5 mm-40 -48.95 -50.62 34.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.02 -52.7 4.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.338 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -57.18 -40.99 78.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.3 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.472 HD11 ' CB ' ' A' ' 9' ' ' GLN . 28.7 mt -58.29 -53.02 63.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.479 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 98.7 mt -50.87 -59.57 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -53.92 -42.23 68.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.495 ' O ' ' CB ' ' A' ' 50' ' ' SER . 1.0 OUTLIER -57.35 -54.67 44.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.4 m -59.62 -60.73 3.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 110.386 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.419 ' CD1' HG22 ' A' ' 45' ' ' ILE . 59.5 mt -50.68 -22.96 2.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 1.4 t -54.44 -41.62 69.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.969 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 41.2 p-90 -110.69 -31.86 7.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 107.993 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.553 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -59.89 -35.11 74.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.553 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 57.0 m-85 -156.98 81.67 3.31 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -50.33 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.452 1.764 . . . . 0.0 110.965 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.81 121.45 34.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 147.03 -35.97 1.24 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.452 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 1.3 pp -132.58 161.05 42.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.55 ' CD2' ' HB3' ' A' ' 60' ' ' GLU . 12.9 t60 -128.07 103.62 7.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.6 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 43.3 t -77.42 104.53 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.55 ' HB3' ' CD2' ' A' ' 58' ' ' HIS . 10.0 pt-20 -109.52 159.11 17.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.362 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.0 m -114.86 103.67 11.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.36 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.477 ' CD1' HG22 ' A' ' 72' ' ' VAL . 54.2 mt -88.07 134.9 33.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.21 149.46 25.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.512 ' OG1' ' N ' ' A' ' 65' ' ' ASP . 0.1 OUTLIER 174.73 175.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.404 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.512 ' N ' ' OG1' ' A' ' 64' ' ' THR . 1.7 m-20 -90.06 -11.28 41.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.425 ' HG3' ' OG1' ' A' ' 64' ' ' THR . 0.1 OUTLIER -95.16 -36.89 11.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.526 ' HB3' ' CG ' ' A' ' 70' ' ' HIS . 8.3 mmpt? -102.49 -62.69 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER 77.37 96.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER 36.09 67.42 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.526 ' CG ' ' HB3' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -110.58 148.03 33.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.573 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 92.9 mt -77.82 143.2 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.477 HG22 ' CD1' ' A' ' 62' ' ' LEU . 2.4 t -138.62 132.33 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.556 ' N ' ' CD1' ' A' ' 73' ' ' ILE . 2.1 mp -101.92 111.86 33.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.0 m -108.44 127.46 53.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.026 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -54.15 139.08 36.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.432 ' CG1' ' N ' ' A' ' 77' ' ' ASP . 69.4 t -129.13 165.04 29.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.432 ' N ' ' CG1' ' A' ' 76' ' ' VAL . 38.8 t70 -138.62 151.14 46.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -81.34 -60.19 2.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.25 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -42.25 -51.97 4.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.337 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.55 -60.77 3.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.257 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -58.18 111.8 1.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.76 -49.06 72.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 109.93 109.57 3.23 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -49.53 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.503 1.791 . . . . 0.0 111.023 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 37.5 p -76.45 -57.63 3.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.7 t -51.21 -56.33 13.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.96 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.529 1.143 . . . . 0.0 110.966 -179.934 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.17 146.01 9.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.77 . . . . 0.0 110.036 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m -101.49 88.83 3.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.015 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.53 -63.39 1.12 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.478 1.111 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -45.51 -37.68 5.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 0.765 . . . . 0.0 109.96 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 t -83.65 -45.39 13.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.959 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.78 -24.82 6.38 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -68.13 -55.33 12.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 109.265 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -75.58 -16.29 60.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.259 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -64.06 -36.84 85.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -72.78 -46.92 50.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.487 ' CZ ' ' HG2' ' A' ' 41' ' ' GLN . 6.8 t80 -57.98 -53.66 55.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.488 ' CD1' ' HA ' ' A' ' 45' ' ' ILE . 6.9 tp -56.41 -49.5 76.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.404 ' N ' HG21 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -51.39 -53.16 39.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -49.29 -38.06 26.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 17' ' ' ILE . 94.1 t -69.25 -49.87 57.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 16' ' ' VAL . 7.7 mm -40.06 -51.94 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -48.69 -51.33 29.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -53.16 -49.15 67.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.466 ' CD1' HD22 ' A' ' 49' ' ' LEU . 31.8 mt -57.81 -62.2 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -40.58 -50.49 2.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.06 -50.03 74.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.565 ' CE1' ' HE3' ' A' ' 75' ' ' LYS . 0.7 OUTLIER -58.17 -35.84 72.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 110.944 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 47.2 mt -74.07 -40.29 62.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -56.44 -43.06 79.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.447 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -67.92 146.13 53.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.981 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.44 -64.68 1.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.35 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.1 -43.45 3.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.245 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.447 ' CG ' ' HB3' ' A' ' 26' ' ' SER . 16.9 mttp -43.14 135.16 3.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.16 -36.74 3.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.89 149.9 35.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.153 . . . . 0.0 110.011 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.516 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 24.8 tp -112.93 148.31 35.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -122.12 123.69 42.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.0 mt -99.64 175.27 5.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -83.42 152.04 63.43 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 120.08 5.92 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.484 1.781 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.444 ' HB2' ' CG ' ' A' ' 42' ' ' ARG . 74.6 m -90.04 -171.49 3.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 108.313 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.7 t -93.62 -29.7 15.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 110.45 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 154.49 -52.0 0.46 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.506 ' O ' ' CG ' ' A' ' 43' ' ' LYS . 5.5 t80 -58.8 -65.23 0.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 0.742 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.487 ' HG2' ' CZ ' ' A' ' 12' ' ' PHE . 10.2 mt-30 -40.5 -41.96 1.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.444 ' CG ' ' HB2' ' A' ' 37' ' ' CYS . 6.4 mtm180 -55.43 -52.95 61.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.506 ' CG ' ' O ' ' A' ' 40' ' ' PHE . 1.3 ptpt -57.17 -26.81 61.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.43 ' N ' ' HG3' ' A' ' 43' ' ' LYS . 26.8 mt -72.61 -51.33 20.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.488 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 59.6 mt -54.99 -51.45 53.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -60.66 -39.9 90.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -65.48 -42.17 92.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.8 m -70.41 -59.78 2.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.389 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.466 HD22 ' CD1' ' A' ' 20' ' ' ILE . 79.5 mt -54.11 -20.75 7.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.27 -38.52 74.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.986 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.506 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 51.6 p-90 -111.73 -32.37 6.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 107.963 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.561 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -62.25 -33.02 73.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.561 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 68.3 m-85 -158.09 82.69 2.82 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -46.19 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.91 126.54 38.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 142.49 -33.82 1.86 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.466 1.104 . . . . 0.0 110.951 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 pp -131.02 163.25 37.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.774 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.409 ' NE2' ' HB3' ' A' ' 60' ' ' GLU . 3.2 t60 -129.77 111.07 12.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.592 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.2 t -99.85 126.6 53.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.503 ' OE1' ' N ' ' A' ' 61' ' ' THR . 0.0 OUTLIER -141.73 165.15 28.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.503 ' N ' ' OE1' ' A' ' 60' ' ' GLU . 4.7 m -99.67 103.22 14.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.368 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.479 HD12 ' CG1' ' A' ' 72' ' ' VAL . 31.9 mt -99.51 135.94 40.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -124.52 128.4 48.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 65' ' ' ASP . 2.1 p -127.26 -143.84 0.29 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 110.417 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.436 ' N ' ' OG1' ' A' ' 64' ' ' THR . 0.6 OUTLIER -92.66 -63.36 1.23 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -89.95 -41.01 12.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.513 ' HG2' ' CE1' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -64.63 -38.26 90.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 50.52 -177.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.449 ' HG2' ' CG2' ' A' ' 61' ' ' THR . 0.1 OUTLIER -55.99 114.79 2.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.339 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.513 ' CE1' ' HG2' ' A' ' 67' ' ' LYS . 0.3 OUTLIER -154.52 146.1 23.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.593 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.429 HD12 ' CB ' ' A' ' 42' ' ' ARG . 55.1 mt -63.88 129.21 27.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.479 ' CG1' HD12 ' A' ' 62' ' ' LEU . 2.3 t -130.64 147.67 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.417 HD13 ' N ' ' A' ' 73' ' ' ILE . 4.3 mp -116.8 151.57 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.83 159.35 42.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.003 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.565 ' HE3' ' CE1' ' A' ' 23' ' ' PHE . 0.4 OUTLIER -79.08 125.76 29.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.406 HG21 ' CB ' ' A' ' 58' ' ' HIS . 86.2 t -124.24 163.09 24.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -137.44 154.89 49.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.94 -64.36 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.21 -60.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.253 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.25 -66.27 0.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.35 156.52 7.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 26.0 m -89.31 -48.33 7.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 110.002 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 112.36 157.25 13.35 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 153.49 42.14 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.455 1.766 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.4 -55.14 5.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.002 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.4 t -75.53 -55.4 5.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.994 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.967 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 m -153.46 117.16 4.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.754 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 p -149.92 -176.18 5.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.71 -60.64 3.36 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.8 p -42.26 -44.4 3.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 0.778 . . . . 0.0 109.983 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.93 -53.64 6.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.018 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.23 -26.19 1.35 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.55 1.156 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -66.28 -56.3 11.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.777 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.434 ' CB ' HD11 ' A' ' 44' ' ' LEU . 7.7 pt20 -76.29 -20.9 56.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -37.59 87.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -72.14 -44.05 63.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.41 ' CZ ' ' HB3' ' A' ' 41' ' ' GLN . 8.2 t80 -61.18 -53.42 57.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.991 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.492 ' CD1' ' HA ' ' A' ' 45' ' ' ILE . 6.8 tp -57.65 -54.48 30.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.473 ' N ' ' CG2' ' A' ' 13' ' ' ILE . 56.9 t0 -45.5 -52.52 10.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -50.59 -40.6 52.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.338 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.2 t -66.9 -52.92 39.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.402 ' N ' HD12 ' A' ' 17' ' ' ILE . 3.7 mm -40.27 -41.3 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -59.24 -53.79 54.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 110.294 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -52.57 -42.29 64.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.549 1.156 . . . . 0.0 109.38 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.409 HG22 ' CD1' ' A' ' 24' ' ' LEU . 71.8 mt -64.21 -61.57 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -39.61 -55.88 1.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.261 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -54.33 -52.32 61.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.513 ' CG ' ' HB2' ' A' ' 32' ' ' LEU . 1.1 t80 -55.5 -35.89 66.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 111.024 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.409 ' CD1' HG22 ' A' ' 20' ' ' ILE . 36.5 mt -73.82 -34.45 64.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -59.87 -44.8 93.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.1 146.45 54.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.003 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.27 -51.58 5.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -49.52 67.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -43.63 130.32 5.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -114.28 -34.32 5.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.27 146.07 30.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.991 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.513 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 21.2 tp -111.23 155.01 23.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -127.44 120.14 27.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 28.3 mt -94.98 178.14 5.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.17 151.94 60.83 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 114.26 3.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.516 1.798 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.0 p -89.2 168.01 12.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 108.325 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.406 HG21 ' N ' ' A' ' 39' ' ' GLY . 4.5 t -70.93 -45.69 63.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.401 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.427 ' HA2' ' NH1' ' A' ' 42' ' ' ARG . . . 169.11 -67.98 0.17 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.413 1.071 . . . . 0.0 111.039 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -38.01 -59.99 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 0.772 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.41 ' HB3' ' CZ ' ' A' ' 12' ' ' PHE . 28.3 mm100 -51.03 -41.07 59.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.427 ' NH1' ' HA2' ' A' ' 39' ' ' GLY . 5.7 ttm105 -49.71 -54.8 16.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -54.92 -40.8 70.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.343 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.434 HD11 ' CB ' ' A' ' 9' ' ' GLN . 37.3 mt -55.49 -63.91 1.02 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.492 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 80.8 mt -40.5 -62.04 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -54.75 -34.67 62.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -66.0 -45.57 81.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.309 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.409 ' CG2' ' CE ' ' A' ' 52' ' ' LYS . 8.0 m -67.07 -61.28 2.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.418 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 36.3 mt -51.1 -24.92 4.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.4 -42.7 54.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.989 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.462 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 39.4 p-90 -111.45 -31.64 6.97 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.58 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -61.95 -44.89 95.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.58 ' CD1' ' HB3' ' A' ' 52' ' ' LYS . 77.8 m-85 -146.4 77.28 11.69 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.985 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -49.43 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.536 1.808 . . . . 0.0 111.012 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.94 122.75 38.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 144.57 -34.36 1.6 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.119 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.441 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 1.1 pp -131.16 165.17 32.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.471 0.748 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.415 ' N ' HG21 ' A' ' 76' ' ' VAL . 2.5 t60 -130.18 110.83 11.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.576 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.2 t -87.69 133.68 29.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -142.22 139.59 32.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.3 m -109.58 126.11 53.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.42 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.65 ' N ' ' CD2' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -126.65 149.88 49.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -112.3 132.24 55.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.516 ' HG1' ' N ' ' A' ' 68' ' ' GLU . 41.8 p -113.53 -148.09 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.447 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.93 -63.81 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.59 -36.5 10.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -70.63 -25.41 63.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.516 ' N ' ' HG1' ' A' ' 64' ' ' THR . 1.1 mt-10 45.49 -163.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.4 117.12 2.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.481 ' CE1' ' CG2' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -139.44 145.65 39.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.593 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 35.2 mt -80.86 143.27 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.481 ' CG2' ' CE1' ' A' ' 70' ' ' HIS . 3.8 t -138.17 140.61 39.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.42 HD13 ' N ' ' A' ' 73' ' ' ILE . 3.7 mp -112.21 141.24 28.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -126.68 156.96 40.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.015 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.33 126.0 31.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.415 HG21 ' N ' ' A' ' 58' ' ' HIS . 96.0 t -125.83 162.82 28.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -151.06 156.3 40.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.44 -56.71 6.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.08 -59.58 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.272 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -43.34 -66.81 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.58 146.9 15.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.24 -48.69 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.951 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -43.36 111.58 0.42 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.454 1.096 . . . . 0.0 110.976 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 100.0 1.31 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.486 1.782 . . . . 0.0 111.042 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.36 -36.49 81.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.997 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.3 -60.45 3.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.968 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 -179.998 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.5 p -102.56 165.31 11.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 0.778 . . . . 0.0 110.026 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.02 -67.28 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.035 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.46 -58.68 12.14 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.7 t -43.34 -61.83 1.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.763 . . . . 0.0 109.991 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.6 m -51.55 -52.03 50.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.993 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -41.37 -50.96 4.58 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.1 -51.29 18.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 0.777 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -73.47 -28.51 61.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.18 -41.58 85.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.4 mmtp -67.17 -49.85 63.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.568 ' CE1' ' OE1' ' A' ' 41' ' ' GLN . 13.1 t80 -55.32 -57.16 12.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.49 ' CD1' ' HA ' ' A' ' 45' ' ' ILE . 4.7 tp -54.2 -44.06 63.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.408 ' N ' HG21 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -55.44 -55.42 31.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.254 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -46.48 -38.26 8.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.9 t -68.45 -47.8 75.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.3 mm -42.32 -49.5 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -50.41 -50.95 50.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -58.53 -45.86 87.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 21' ' ' GLU . 84.0 mt -57.97 -64.64 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' ILE . 2.7 mt-10 -37.1 -59.13 0.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.328 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.84 -55.91 14.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.557 ' CD1' ' HB2' ' A' ' 32' ' ' LEU . 1.5 t80 -52.56 -38.74 60.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.407 HD11 ' CG2' ' A' ' 20' ' ' ILE . 25.0 mt -72.2 -33.42 67.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -63.52 -51.76 64.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.413 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 1.2 t -54.42 142.17 28.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.007 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -92.7 -38.35 11.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 29' ' ' LYS . 5.5 tt0 -66.37 -46.78 75.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.413 ' CG ' ' HB3' ' A' ' 26' ' ' SER . 26.0 mttt -39.93 133.12 1.68 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.244 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.15 -38.17 3.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.1 128.31 16.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.048 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.557 ' HB2' ' CD1' ' A' ' 23' ' ' PHE . 22.8 tp -96.8 149.31 21.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -121.57 126.36 48.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.3 mt -103.3 176.43 5.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -75.1 156.39 85.95 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 113.13 3.72 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.472 1.775 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.5 m -75.45 162.98 27.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 108.292 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.8 t -93.96 -25.92 17.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.398 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 162.08 -82.66 0.12 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 0.0 110.962 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -44.74 -57.62 3.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 110.992 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.568 ' OE1' ' CE1' ' A' ' 12' ' ' PHE . 74.8 mm-40 -45.53 -55.38 6.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.472 ' HG3' ' CD1' ' A' ' 71' ' ' ILE . 1.8 ttt180 -43.69 -46.67 7.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -61.91 -37.67 85.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 41' ' ' GLN . 41.3 mt -58.91 -58.82 6.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.251 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.49 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 95.3 mt -45.42 -60.5 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.568 ' CE1' HG12 ' A' ' 59' ' ' VAL . 19.2 m-85 -51.92 -52.84 47.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.8 OUTLIER -47.25 -54.72 10.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.436 ' CG2' ' HG3' ' A' ' 52' ' ' LYS . 4.7 m -57.21 -67.76 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.393 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.403 HD23 ' CD1' ' A' ' 20' ' ' ILE . 74.2 mt -46.09 -25.65 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.6 OUTLIER -54.16 -40.65 67.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.019 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.468 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 44.3 p-90 -110.94 -32.38 6.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 107.969 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.574 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -61.05 -33.47 73.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.277 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.574 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 53.4 m-85 -161.86 83.96 1.71 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -36.21 2.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.476 1.777 . . . . 0.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.18 108.61 6.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 173.35 -45.16 0.16 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.47 HD13 ' CB ' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -127.65 -176.91 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 109.346 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.548 ' CD2' ' OE1' ' A' ' 60' ' ' GLU . 1.6 t60 -136.58 116.06 12.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.644 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.568 HG12 ' CE1' ' A' ' 46' ' ' TYR . 37.3 t -90.79 133.99 30.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.269 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.548 ' OE1' ' CD2' ' A' ' 58' ' ' HIS . 8.6 pt-20 -140.74 153.71 46.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.263 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.416 HG21 ' NH1' ' A' ' 42' ' ' ARG . 7.5 m -110.68 104.24 12.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 110.395 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.3 mt -106.35 156.96 17.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.426 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 1.7 tm-20 -124.78 140.29 53.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.489 ' HB ' ' CG ' ' A' ' 66' ' ' LYS . 12.2 p -129.09 143.39 50.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.398 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -57.89 -33.33 68.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.489 ' CG ' ' HB ' ' A' ' 64' ' ' THR . 0.2 OUTLIER -46.2 -74.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.533 ' O ' ' CB ' ' A' ' 68' ' ' GLU . 0.9 OUTLIER -107.2 -69.61 0.83 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.533 ' CB ' ' O ' ' A' ' 67' ' ' LYS . 0.4 OUTLIER 158.3 -165.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.325 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.426 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 0.9 OUTLIER -37.58 149.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.267 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.705 ' CE1' ' CG2' ' A' ' 72' ' ' VAL . 0.8 OUTLIER -167.23 145.74 4.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.582 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.472 ' CD1' ' HG3' ' A' ' 42' ' ' ARG . 28.3 mt -74.38 141.03 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.705 ' CG2' ' CE1' ' A' ' 70' ' ' HIS . 3.9 t -138.86 137.16 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.506 HG23 ' CE2' ' A' ' 23' ' ' PHE . 3.8 mp -109.54 152.54 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.72 159.42 41.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -81.1 126.56 31.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 92.9 t -127.47 163.28 31.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -159.11 153.2 23.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.33 -62.6 1.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -40.42 -59.22 1.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -46.93 -59.02 3.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -51.18 114.4 1.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 78.0 p -59.66 -34.04 72.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.969 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 128.38 -144.38 15.22 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 164.61 32.95 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.491 1.785 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.9 m -53.95 -63.57 1.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.54 -62.22 0.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.51 101.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.763 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.35 151.43 2.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.029 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.59 -53.16 43.3 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 8' ' ' ASP . 0.6 OUTLIER -43.53 -61.72 1.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 0.78 . . . . 0.0 110.01 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -40.32 -56.67 1.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.953 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -43.31 -38.48 3.79 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.13 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 5' ' ' SER . 1.1 m-20 -52.29 -44.16 64.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.401 ' CD ' ' CD1' ' A' ' 44' ' ' LEU . 13.4 mm-40 -90.75 -26.12 19.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.2 -35.3 78.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -78.03 -40.51 38.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.531 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 1.3 t80 -65.08 -40.02 94.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.474 ' CD1' ' HA ' ' A' ' 45' ' ' ILE . 6.2 tp -71.01 -48.74 54.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.419 ' N ' HG21 ' A' ' 13' ' ' ILE . 38.6 t70 -54.54 -43.96 72.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.176 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -61.48 -37.18 82.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.267 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.8 t -68.56 -50.92 51.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 20' ' ' ILE . 4.4 mt -47.74 -50.08 9.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -45.2 -47.08 12.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -62.18 -34.19 75.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.437 ' N ' ' O ' ' A' ' 17' ' ' ILE . 65.5 mt -71.17 -60.53 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 20' ' ' ILE . 1.9 mm-40 -38.12 -51.46 1.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -57.96 -50.33 73.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.523 ' CG ' ' HB2' ' A' ' 32' ' ' LEU . 1.4 t80 -58.0 -30.97 66.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.7 mt -77.38 -35.24 54.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -60.21 -52.37 65.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.406 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -57.3 148.07 23.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.017 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -92.36 -63.56 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -42.64 -45.71 4.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.246 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.406 ' CG ' ' HB3' ' A' ' 26' ' ' SER . 68.0 mttt -41.77 134.79 2.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.91 -37.64 3.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.02 155.08 42.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.982 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.523 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 22.2 tp -118.61 155.33 31.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -123.67 123.92 41.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 27.3 mt -102.99 167.2 9.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.3 p-10 -67.08 150.75 97.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 101.23 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 64.7 m -70.82 178.86 2.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 108.268 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.9 p -92.76 -55.83 3.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.372 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -177.26 -50.96 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.462 ' O ' ' CG ' ' A' ' 43' ' ' LYS . 9.1 t80 -65.62 -64.09 0.94 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 0.77 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.457 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 1.6 mt-30 -51.83 -26.16 9.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.457 ' CG ' HD13 ' A' ' 71' ' ' ILE . 1.6 ttm180 -67.37 -47.94 68.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.322 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 40' ' ' PHE . 6.8 ptpt -62.62 -29.37 70.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' A' ' 41' ' ' GLN . 64.4 mt -63.05 -52.8 61.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.474 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 53.8 mt -53.33 -51.42 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.618 ' CE1' ' CG1' ' A' ' 59' ' ' VAL . 33.9 m-85 -63.56 -34.14 77.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 111.061 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.41 ' O ' ' HB3' ' A' ' 50' ' ' SER . 2.3 tt0 -67.93 -42.6 80.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.427 HG21 ' CG ' ' A' ' 52' ' ' LYS . 16.1 m -68.67 -70.79 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.8 mt -42.97 -31.74 0.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.41 ' HB3' ' O ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -48.45 -41.48 29.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.044 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.568 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 54.6 p-90 -110.68 -32.65 6.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 108.002 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.575 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -61.14 -42.97 99.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.575 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 79.5 m-85 -153.39 80.37 5.25 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -57.54 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.53 1.805 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.26 103.02 12.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 173.75 -50.59 0.15 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.117 . . . . 0.0 111.06 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.459 HD11 ' CB ' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -127.88 -177.04 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 0.773 . . . . 0.0 109.333 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.487 ' C ' ' CD2' ' A' ' 58' ' ' HIS . 0.9 OUTLIER -139.35 121.71 16.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.607 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.618 ' CG1' ' CE1' ' A' ' 46' ' ' TYR . 36.7 t -93.51 132.8 36.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.42 ' HB3' ' NE2' ' A' ' 58' ' ' HIS . 0.5 OUTLIER -144.35 142.65 30.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 110.327 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 53.8 m -93.72 104.75 16.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.423 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.9 mt -95.4 136.71 35.42 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.542 1.152 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -123.73 128.19 49.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 65' ' ' ASP . 3.7 p -125.01 -140.78 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.403 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.437 ' N ' ' OG1' ' A' ' 64' ' ' THR . 0.4 OUTLIER -91.61 -63.58 1.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -95.68 -37.59 10.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -47.68 80.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 62.18 173.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.515 ' O ' ' CG ' ' A' ' 69' ' ' ARG . 18.5 ptt180 -50.56 99.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.476 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER -127.67 141.34 51.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.602 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.457 HD13 ' CG ' ' A' ' 42' ' ' ARG . 35.7 mt -63.81 134.17 28.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.6 t -133.28 143.23 39.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.43 HD13 ' N ' ' A' ' 73' ' ' ILE . 3.9 mp -112.97 151.12 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.29 157.74 46.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.012 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -78.62 123.1 26.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.409 ' CG1' ' N ' ' A' ' 77' ' ' ASP . 95.8 t -125.96 164.94 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.409 ' N ' ' CG1' ' A' ' 76' ' ' VAL . 29.5 t70 -148.17 164.14 34.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.77 -54.49 38.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.22 -62.69 1.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -39.05 -68.23 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -62.72 127.35 30.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.259 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.3 t -72.91 -45.87 55.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.031 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 88.83 154.17 28.24 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 157.76 42.49 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.543 1.812 . . . . 0.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.67 -56.81 2.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 110.037 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.5 m -60.1 -55.07 38.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.026 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.58 1.175 . . . . 0.0 111.015 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m 48.36 77.94 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 109.964 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.36 118.83 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.982 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.28 -54.37 23.93 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.52 -44.6 8.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 0.79 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -69.21 -55.98 8.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.022 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -42.31 -41.39 3.93 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -51.51 -61.02 2.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.75 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.467 ' CG ' HD12 ' A' ' 44' ' ' LEU . 22.9 mt-30 -70.36 -28.43 65.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -29.37 64.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.4 mtmt -81.87 -46.47 14.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.542 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -58.9 -38.58 79.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.486 ' CD1' ' HA ' ' A' ' 45' ' ' ILE . 6.5 tp -71.46 -49.4 47.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.253 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.421 ' N ' HG21 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -53.5 -43.07 67.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -63.02 -37.11 85.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 93.2 t -68.93 -51.08 48.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.1 mt -46.68 -47.33 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -47.8 -48.58 30.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -57.32 -38.76 74.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.8 mt -68.65 -45.74 80.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -51.17 -61.08 2.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -48.51 -46.42 38.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.52 ' CG ' ' HB2' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -60.16 -41.88 93.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.6 mt -65.9 -38.22 88.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -59.89 -42.45 93.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.29 145.92 54.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.035 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.24 -56.89 2.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 29' ' ' LYS . 1.4 mt-10 -49.59 -51.5 36.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 28' ' ' GLU . 22.9 mttp -40.12 133.25 1.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.59 -35.66 3.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.21 137.95 24.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.985 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.52 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 15.4 tp -103.77 157.0 17.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -126.58 125.81 42.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 23.4 mt -100.96 163.87 12.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.092 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.88 152.99 91.15 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 120.55 6.12 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.515 1.797 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.9 m -90.11 162.79 15.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 108.286 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.1 t -70.68 -36.65 73.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 163.64 -74.56 0.18 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.541 1.151 . . . . 0.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -42.19 -53.4 4.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 0.763 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.468 ' HG2' ' CE2' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -55.71 -54.04 49.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.455 ' CG ' HD11 ' A' ' 71' ' ' ILE . 0.5 OUTLIER -38.77 -46.06 1.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -63.7 -47.62 80.43 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.467 HD12 ' CG ' ' A' ' 9' ' ' GLN . 64.1 mt -46.63 -48.0 19.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.486 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 96.0 mt -56.26 -58.44 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -54.24 -62.82 1.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.492 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.7 OUTLIER -41.82 -53.04 3.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.473 ' CG2' HG12 ' A' ' 13' ' ' ILE . 3.7 m -57.14 -69.05 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.397 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.6 mt -46.76 -25.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.4 OUTLIER -54.38 -40.91 68.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.069 . . . . 0.0 109.993 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 44.7 p-90 -110.28 -30.55 7.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 108.004 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.544 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -64.54 -39.17 93.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.544 ' CD1' ' HB3' ' A' ' 52' ' ' LYS . 87.6 m-85 -151.92 79.42 6.38 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -51.66 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.578 1.831 . . . . 0.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.08 114.56 21.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.73 -32.84 0.75 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.956 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.4 pp -133.57 165.62 31.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.475 0.75 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.439 ' CB ' HG22 ' A' ' 76' ' ' VAL . 4.3 t60 -129.99 108.47 10.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.572 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.8 t -92.85 131.36 40.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.548 ' OE2' ' CD1' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -138.27 165.26 27.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.6 m -117.93 127.27 53.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.41 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.548 ' CD1' ' OE2' ' A' ' 60' ' ' GLU . 1.3 mt -128.41 142.77 51.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.36 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.83 133.59 55.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.414 ' HG1' ' N ' ' A' ' 68' ' ' GLU . 30.2 p -117.59 -145.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.381 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.58 -63.82 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -96.74 -36.53 10.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 109.333 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.445 ' O ' ' CG ' ' A' ' 68' ' ' GLU . 1.4 mmtp -67.66 -23.7 65.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.445 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 7.6 pt-20 46.21 -158.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.75 111.08 2.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.529 ' CE1' HG21 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -128.95 147.95 50.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.612 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.455 HD11 ' CG ' ' A' ' 42' ' ' ARG . 33.6 mt -81.35 135.97 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.529 HG21 ' CE1' ' A' ' 70' ' ' HIS . 2.1 t -137.08 141.0 41.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.43 HD13 ' N ' ' A' ' 73' ' ' ILE . 4.0 mp -112.71 157.13 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.65 161.51 35.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -83.01 124.2 30.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.582 1.176 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.439 HG22 ' CB ' ' A' ' 58' ' ' HIS . 86.9 t -123.68 167.94 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.439 ' N ' ' CG1' ' A' ' 76' ' ' VAL . 31.5 t70 -146.14 153.52 40.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -62.07 -64.15 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.269 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 78' ' ' GLU . 7.0 mm-40 -38.71 -62.78 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -38.76 -69.58 0.12 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.46 134.02 40.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.94 -49.59 19.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.949 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 60.33 -166.67 10.89 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.532 1.145 . . . . 0.0 110.959 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 178.26 7.48 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.514 1.797 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.2 m -85.84 -58.92 2.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.001 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.2 t -46.08 -58.84 3.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.976 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.704 ' HB2' HD13 ' A' ' 44' ' ' LEU . 11.4 pt20 -76.27 -13.04 60.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 110.344 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.83 -43.34 72.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -69.5 -39.71 77.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.424 ' O ' HG23 ' A' ' 16' ' ' VAL . 7.7 t80 -64.57 -53.68 44.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 111.043 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.592 HD11 ' HA ' ' A' ' 45' ' ' ILE . 6.3 tp -57.79 -48.35 83.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -51.69 -52.52 47.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -50.32 -38.48 41.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 12' ' ' PHE . 93.8 t -67.86 -49.99 63.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' VAL . 6.8 mm -40.45 -56.31 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -42.2 -52.74 4.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -54.2 -44.79 71.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.7 mt -60.45 -56.91 14.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -44.38 -57.37 3.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.57 -52.48 46.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.636 ' HB2' HD13 ' A' ' 32' ' ' LEU . 1.0 OUTLIER -55.07 -39.97 69.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.961 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.3 mt -67.77 -38.52 83.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -58.54 -59.06 5.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 110.324 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.407 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -49.29 146.25 3.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -92.2 -59.92 1.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.319 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.6 -48.31 19.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.233 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.407 ' CG ' ' HB3' ' A' ' 26' ' ' SER . 23.7 mttt -40.31 126.21 2.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.67 -34.15 5.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 110.331 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.35 136.5 23.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.057 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.636 HD13 ' HB2' ' A' ' 23' ' ' PHE . 30.2 tp -102.8 153.46 20.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -124.28 118.82 27.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.2 mt -95.94 174.63 6.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.262 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -77.78 152.1 80.07 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 113.63 3.84 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.478 1.778 . . . . 0.0 111.013 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 53.3 m -72.96 165.2 25.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 108.3 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.412 HG22 ' H ' ' A' ' 38' ' ' THR . 1.2 t -87.39 -32.59 19.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.415 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 169.03 -78.17 0.1 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.441 1.088 . . . . 0.0 111.051 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -49.76 -62.87 1.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.755 . . . . 0.0 110.986 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.611 ' HA ' HD12 ' A' ' 44' ' ' LEU . 31.7 mt-30 -43.73 -48.43 7.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -47.61 -51.57 20.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 110.273 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -58.11 -39.8 79.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.704 HD13 ' HB2' ' A' ' 9' ' ' GLN . 46.2 mt -55.53 -60.27 3.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.592 ' HA ' HD11 ' A' ' 13' ' ' ILE . 81.9 mt -42.8 -62.34 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -52.1 -43.24 63.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 110.962 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -57.49 -53.14 61.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.458 HG23 ' HG3' ' A' ' 52' ' ' LYS . 4.3 m -59.31 -62.19 2.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.083 . . . . 0.0 110.379 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.454 HD22 ' CD2' ' A' ' 53' ' ' TYR . 50.5 mt -50.42 -22.92 2.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 1.3 t -54.46 -42.06 70.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.447 1.092 . . . . 0.0 110.023 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 38.1 p-90 -110.57 -31.7 7.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 108.002 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.568 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -60.33 -39.28 86.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.568 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 48.9 m-85 -152.69 79.42 5.89 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -48.97 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.496 1.788 . . . . 0.0 110.938 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.53 121.1 33.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 146.99 -37.14 1.18 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.556 1.16 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.663 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.2 pp -128.92 165.35 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 0.761 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.601 ' HE2' ' CD ' ' A' ' 60' ' ' GLU . 1.6 t60 -128.52 111.78 13.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.586 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.5 t -88.85 132.13 34.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.601 ' CD ' ' HE2' ' A' ' 58' ' ' HIS . 6.1 pt-20 -142.75 149.39 38.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 110.404 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.43 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 65.1 mt -69.9 138.32 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.0 t -138.21 134.47 44.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.6 mp -108.44 155.19 9.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.75 162.37 33.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.979 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.564 ' HE3' ' CE1' ' A' ' 23' ' ' PHE . 0.6 OUTLIER -84.6 122.02 28.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.455 HG21 ' HB2' ' A' ' 58' ' ' HIS . 95.3 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.625 ' CB ' HD13 ' A' ' 44' ' ' LEU . 7.5 pt20 -65.3 -23.79 67.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.41 -43.43 83.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -66.78 -44.44 81.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.588 ' CD1' ' OE1' ' A' ' 41' ' ' GLN . 12.5 t80 -62.86 -56.33 18.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.606 HD11 ' HA ' ' A' ' 45' ' ' ILE . 4.9 tp -55.51 -54.18 28.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.498 ' N ' HG23 ' A' ' 13' ' ' ILE . 48.1 t0 -45.2 -54.12 7.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -49.17 -40.33 32.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 19' ' ' LYS . 90.1 t -68.1 -48.48 74.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.9 mm -41.5 -45.13 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -52.96 -44.24 66.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 16' ' ' VAL . 53.4 mttm -59.24 -47.97 83.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.438 HG22 ' CD1' ' A' ' 24' ' ' LEU . 5.7 mt -59.98 -59.92 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -45.22 -60.23 2.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -51.28 -49.86 60.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.546 ' CB ' HD22 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -56.3 -38.39 71.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 111.049 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.438 ' CD1' HG22 ' A' ' 20' ' ' ILE . 23.4 mt -70.1 -37.97 75.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -58.34 -47.95 82.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.428 ' CB ' ' HD2' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -61.31 145.62 50.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.023 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -92.42 -58.71 2.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -47.0 -40.07 13.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.428 ' HD2' ' CB ' ' A' ' 26' ' ' SER . 16.9 mttm -53.34 126.93 22.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.56 -34.2 4.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.98 129.75 17.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.954 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.546 HD22 ' CB ' ' A' ' 23' ' ' PHE . 30.9 tp -97.2 152.4 18.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -124.99 123.41 39.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 34' ' ' LEU . 20.4 mt -98.49 175.99 5.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -88.96 151.9 47.71 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 121.23 6.44 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.517 1.798 . . . . 0.0 111.041 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.2 m -87.08 178.31 6.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 108.329 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.0 p -84.7 -23.37 29.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.438 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 148.07 -66.9 0.39 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -43.17 -63.6 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 0.793 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.588 ' OE1' ' CD1' ' A' ' 12' ' ' PHE . 29.3 mm-40 -50.86 -45.54 59.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -44.49 -47.6 10.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -35.36 79.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.625 HD13 ' CB ' ' A' ' 9' ' ' GLN . 38.2 mt -61.33 -42.89 99.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.606 ' HA ' HD11 ' A' ' 13' ' ' ILE . 88.3 mt -60.6 -49.97 82.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -60.81 -49.9 75.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.5 ' O ' ' CB ' ' A' ' 50' ' ' SER . 1.4 mm-40 -49.59 -53.45 23.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.55 HG23 ' HG3' ' A' ' 52' ' ' LYS . 2.9 m -58.22 -66.49 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.392 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 78.5 mt -48.2 -24.37 1.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.9 OUTLIER -52.9 -43.19 66.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.01 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.569 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 51.2 p-90 -110.53 -31.94 7.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 108.026 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.569 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -58.77 -53.31 59.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.576 ' O ' HD11 ' A' ' 57' ' ' ILE . 88.0 m-85 -139.94 75.93 29.1 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -43.36 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.772 . . . . 0.0 111.019 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.17 120.38 24.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 147.06 -34.47 1.31 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.598 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.3 pp -129.23 164.51 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.758 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.533 ' HE2' ' CD ' ' A' ' 60' ' ' GLU . 2.2 t60 -125.91 112.42 15.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.619 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.8 t -94.39 133.96 33.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.533 ' CD ' ' HE2' ' A' ' 58' ' ' HIS . 4.1 pt-20 -143.31 146.0 33.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.45 179.945 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.445 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 13.7 mt -70.42 133.55 31.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.419 ' CG2' ' NE2' ' A' ' 70' ' ' HIS . 3.0 t -130.59 136.94 57.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 73' ' ' ILE . 4.3 mp -111.74 153.24 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.8 161.24 36.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.99 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -83.52 124.89 31.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.523 HG21 ' HB2' ' A' ' 58' ' ' HIS . 92.9 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.8 t0 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -80.51 -14.0 58.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.82 -47.81 10.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -35.39 80.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -68.87 -55.21 11.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.619 HD11 ' HA ' ' A' ' 45' ' ' ILE . 4.9 tp -56.7 -48.37 80.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -51.03 -54.45 24.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -48.02 -40.68 23.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.498 HG12 HD11 ' A' ' 20' ' ' ILE . 93.8 t -65.88 -50.02 73.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.547 ' HA ' HD12 ' A' ' 20' ' ' ILE . 7.2 mm -40.18 -52.99 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -50.31 -53.03 31.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -52.6 -38.74 60.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 17' ' ' ILE . 11.5 mt -68.09 -62.74 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -42.63 -57.77 2.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.08 -52.59 50.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.482 ' CB ' HD22 ' A' ' 32' ' ' LEU . 1.4 t80 -54.83 -38.91 67.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.594 HD21 HG21 ' A' ' 57' ' ' ILE . 24.1 mt -69.98 -38.75 76.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -59.41 -43.08 93.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.411 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -62.39 146.26 51.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.591 1.182 . . . . 0.0 110.026 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -92.28 -63.64 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 29' ' ' LYS . 1.4 tm-20 -43.38 -48.02 6.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.268 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.411 ' CG ' ' HB3' ' A' ' 26' ' ' SER . 18.2 mttp -40.52 131.22 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.94 -36.72 3.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.99 136.62 24.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.482 HD22 ' CB ' ' A' ' 23' ' ' PHE . 32.9 tp -103.5 151.39 22.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -124.41 119.0 27.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.286 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.45 HD12 HD11 ' A' ' 73' ' ' ILE . 32.3 mt -97.22 174.03 6.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -73.22 147.0 87.56 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 104.65 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.463 1.77 . . . . 0.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.1 m -63.86 167.79 5.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 108.307 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.6 t -94.25 -14.1 25.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.39 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 152.41 -73.15 0.27 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -57.94 -61.31 2.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 0.733 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.847 ' HA ' HD12 ' A' ' 44' ' ' LEU . 30.6 mm100 -44.77 -29.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.971 ' HG3' HD11 ' A' ' 71' ' ' ILE . 1.4 tpp85 -67.7 -52.19 40.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -58.33 -28.11 64.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.847 HD12 ' HA ' ' A' ' 41' ' ' GLN . 58.1 mt -65.34 -52.18 55.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.619 ' HA ' HD11 ' A' ' 13' ' ' ILE . 94.8 mt -54.96 -52.47 43.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -56.83 -49.06 76.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.5 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -52.7 -53.37 48.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.408 HG21 HG12 ' A' ' 13' ' ' ILE . 17.0 m -58.59 -61.83 2.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 110.36 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.469 HD21 HD13 ' A' ' 20' ' ' ILE . 81.2 mt -52.85 -21.17 3.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 1.0 OUTLIER -56.14 -40.92 74.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.979 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 36.1 p-90 -110.85 -32.02 6.98 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.565 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -61.61 -29.79 70.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.358 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.565 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 66.4 m-85 -160.22 83.21 2.16 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -41.09 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.23 112.04 7.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 163.1 -36.75 0.33 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.652 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.2 pp -127.66 166.12 25.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 0.778 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.544 ' HE2' ' CD ' ' A' ' 60' ' ' GLU . 1.7 t60 -128.76 114.59 16.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.613 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.0 t -93.32 136.18 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.544 ' CD ' ' HE2' ' A' ' 58' ' ' HIS . 4.4 pt-20 -144.57 146.01 32.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.1 m . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.371 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.442 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.971 HD11 ' HG3' ' A' ' 42' ' ' ARG . 30.4 mt -70.97 136.5 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.414 ' CG2' ' NE2' ' A' ' 70' ' ' HIS . 4.1 t -134.19 136.5 53.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.45 HD11 HD12 ' A' ' 34' ' ' LEU . 4.1 mp -110.39 152.48 12.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.74 161.46 35.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.025 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -80.97 125.42 30.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.473 HG21 ' HB2' ' A' ' 58' ' ' HIS . 90.6 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.72 ' HB2' HD13 ' A' ' 44' ' ' LEU . 9.0 pt20 -68.38 -32.28 72.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.259 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -41.99 61.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -70.25 -39.99 74.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -64.59 -54.96 23.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.571 HD11 ' HA ' ' A' ' 45' ' ' ILE . 7.9 tp -55.72 -50.34 68.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.427 ' N ' HG23 ' A' ' 13' ' ' ILE . 0.6 OUTLIER -49.36 -55.67 12.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -46.75 -40.66 13.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.426 HG12 ' CD1' ' A' ' 20' ' ' ILE . 99.1 t -67.32 -48.6 77.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.1 mm -40.85 -49.58 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -52.75 -53.76 43.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -51.29 -41.76 60.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.616 HG22 ' CD1' ' A' ' 24' ' ' LEU . 7.7 mt -64.39 -58.99 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 20' ' ' ILE . 6.0 mm-40 -35.86 -64.92 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.423 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 3.8 t0 -46.85 -59.25 3.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.539 ' CE2' HG22 ' A' ' 73' ' ' ILE . 2.4 t80 -48.88 -22.02 0.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.14 . . . . 0.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.616 ' CD1' HG22 ' A' ' 20' ' ' ILE . 23.1 mt -93.43 -32.74 14.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 22' ' ' ASP . 4.6 pt20 -77.47 -12.18 59.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.05 150.59 20.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.991 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.18 -66.67 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -42.53 -51.47 5.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -41.21 125.57 2.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.2 -35.32 4.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.14 126.58 14.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.021 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.514 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 31.6 tp -93.05 149.37 21.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -126.02 117.79 23.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 25.9 mt -94.08 177.32 6.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -83.57 153.18 64.78 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 119.11 5.5 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.494 1.786 . . . . 0.0 111.029 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 58.8 m -88.99 170.77 10.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 108.304 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.1 p -74.82 -51.95 12.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.422 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 176.17 -55.99 0.11 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.555 1.159 . . . . 0.0 110.959 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -54.72 -62.47 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 0.778 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.657 ' HA ' HD12 ' A' ' 44' ' ' LEU . 30.9 mm100 -49.26 -48.24 46.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.761 ' HG3' HD11 ' A' ' 71' ' ' ILE . 30.8 ttp85 -46.78 -46.83 20.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -62.4 -36.78 83.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.72 HD13 ' HB2' ' A' ' 9' ' ' GLN . 44.5 mt -59.26 -52.01 67.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.571 ' HA ' HD11 ' A' ' 13' ' ' ILE . 96.6 mt -51.27 -52.18 20.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -63.65 -34.99 79.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.78 -38.59 86.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.323 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.404 ' C ' ' N ' ' A' ' 50' ' ' SER . 3.3 m -76.4 -65.7 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 110.416 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.1 mt -49.22 -23.75 1.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.404 ' N ' ' C ' ' A' ' 48' ' ' THR . 0.1 OUTLIER -54.3 -41.32 68.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.982 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.43 ' CZ3' ' CG ' ' A' ' 52' ' ' LYS . 47.5 p-90 -110.75 -31.87 7.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 108.006 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.562 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -59.16 -37.24 76.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.103 . . . . 0.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.562 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 66.1 m-85 -155.05 80.8 4.29 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -52.07 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.535 1.808 . . . . 0.0 110.971 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.82 110.36 15.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.47 -35.61 0.43 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.12 . . . . 0.0 111.038 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.622 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.2 pp -131.16 164.94 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.764 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.508 ' HB2' HG21 ' A' ' 76' ' ' VAL . 2.7 t60 -126.47 112.85 16.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.558 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.2 t -92.59 134.72 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.468 ' HB3' ' HE2' ' A' ' 58' ' ' HIS . 1.6 pt-20 -144.68 145.17 31.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.253 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.404 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.413 ' NE2' ' CG2' ' A' ' 72' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.761 HD11 ' HG3' ' A' ' 42' ' ' ARG . 45.6 mt -77.19 138.61 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.413 ' CG2' ' NE2' ' A' ' 70' ' ' HIS . 2.6 t -137.34 137.16 46.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.539 HG22 ' CE2' ' A' ' 23' ' ' PHE . 4.0 mp -108.74 153.22 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.8 159.81 40.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.98 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.439 ' CE ' ' O ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -85.06 123.47 30.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.508 HG21 ' HB2' ' A' ' 58' ' ' HIS . 85.0 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.49 ' OE1' HD22 ' A' ' 44' ' ' LEU . 14.1 pt20 -68.02 -22.2 64.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -44.34 84.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -67.87 -43.59 79.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -62.69 -55.8 23.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.664 HD11 ' HA ' ' A' ' 45' ' ' ILE . 4.9 tp -54.98 -48.67 75.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -51.69 -55.11 21.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -46.62 -38.89 10.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.1 t -69.12 -46.95 77.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.2 mm -43.04 -52.71 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -48.02 -53.96 14.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.265 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -49.47 -44.7 46.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.639 HG22 ' CD1' ' A' ' 24' ' ' LEU . 35.9 mt -64.71 -61.06 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -38.51 -57.18 1.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.32 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -52.14 -52.52 51.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.629 ' HE2' HG22 ' A' ' 73' ' ' ILE . 2.6 t80 -58.46 -26.3 63.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.639 ' CD1' HG22 ' A' ' 20' ' ' ILE . 38.7 mt -85.26 -14.41 46.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -95.18 -15.58 23.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.27 117.63 23.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.999 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -69.7 -36.27 75.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 110.245 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.18 -55.02 7.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.123 . . . . 0.0 110.256 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -47.15 131.39 12.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -113.1 -26.68 8.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 110.275 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.26 158.6 43.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.542 ' O ' HG13 ' A' ' 72' ' ' VAL . 40.4 tp -122.04 161.82 22.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -132.88 118.44 18.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 34' ' ' LEU . 22.9 mt -97.07 163.87 12.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.94 149.19 92.39 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 99.81 1.29 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.424 1.749 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 58.7 m -65.52 -179.05 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 108.301 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 43.4 p -88.75 -51.37 5.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.392 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -178.8 -61.66 0.07 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.531 1.145 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.468 ' O ' ' CG ' ' A' ' 43' ' ' LYS . 24.0 t80 -58.7 -64.31 0.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 0.733 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.697 ' HA ' HD12 ' A' ' 44' ' ' LEU . 35.7 mt-30 -48.2 -28.02 2.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.436 ' CG ' HD11 ' A' ' 71' ' ' ILE . 15.8 ttp180 -65.35 -50.2 66.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 40' ' ' PHE . 5.5 ptpt -60.55 -29.01 68.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' ' 41' ' ' GLN . 49.3 mt -65.5 -47.59 75.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.664 ' HA ' HD11 ' A' ' 13' ' ' ILE . 96.6 mt -56.53 -48.16 80.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -64.15 -53.8 43.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.969 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.505 ' O ' ' CB ' ' A' ' 50' ' ' SER . 2.1 mt-30 -49.38 -52.01 31.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.346 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.473 HG21 HG12 ' A' ' 13' ' ' ILE . 10.3 m -57.12 -67.37 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.397 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.428 HD21 ' CD1' ' A' ' 20' ' ' ILE . 82.1 mt -48.72 -24.11 1.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.5 OUTLIER -54.22 -41.08 68.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.994 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.403 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 41.9 p-90 -110.64 -31.87 7.08 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.575 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -61.38 -33.99 74.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.575 ' CD1' ' HB3' ' A' ' 52' ' ' LYS . 80.5 m-85 -154.91 81.01 4.31 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -37.61 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.486 1.782 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -137.56 117.53 13.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 152.4 -36.34 0.81 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.118 . . . . 0.0 111.007 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.704 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.1 pp -130.79 164.09 34.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.361 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.534 ' HB2' HG21 ' A' ' 76' ' ' VAL . 4.6 t-80 -130.42 104.84 7.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.557 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.0 t -77.0 124.8 36.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.35 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -132.77 149.34 52.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.354 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.459 ' NE2' ' CG2' ' A' ' 72' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.436 HD11 ' CG ' ' A' ' 42' ' ' ARG . 39.1 mt -76.94 142.73 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.646 ' C ' HD12 ' A' ' 73' ' ' ILE . 9.1 t -138.38 137.85 43.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.763 ' N ' HD12 ' A' ' 73' ' ' ILE . 2.2 mp -111.58 113.34 43.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.3 t -97.77 153.06 18.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.997 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.465 ' HG3' ' CZ ' ' A' ' 23' ' ' PHE . 10.8 mtpt -76.73 129.85 36.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.534 HG21 ' HB2' ' A' ' 58' ' ' HIS . 52.6 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.353 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.568 ' HB3' HD13 ' A' ' 44' ' ' LEU . 19.7 mm-40 -77.0 -29.29 55.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.472 ' O ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -60.25 -46.36 90.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.86 -48.01 78.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.562 ' CD1' ' OE1' ' A' ' 41' ' ' GLN . 26.5 t80 -57.49 -61.95 2.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 111.042 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.625 HD11 ' HA ' ' A' ' 45' ' ' ILE . 5.1 tp -48.07 -43.33 11.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.4 -53.25 59.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -50.53 -23.45 2.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 12' ' ' PHE . 89.5 t -84.52 -43.52 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.437 ' HA ' HD12 ' A' ' 20' ' ' ILE . 7.3 mm -47.58 -58.43 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -43.0 -52.91 5.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -52.62 -42.07 64.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.506 HG22 ' CD1' ' A' ' 24' ' ' LEU . 16.5 mt -66.21 -62.8 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -42.96 -49.12 6.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.277 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -56.82 -48.7 77.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.518 ' CG ' ' HB2' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -61.32 -38.64 87.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.506 ' CD1' HG22 ' A' ' 20' ' ' ILE . 21.4 mt -72.67 -21.72 61.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -75.28 -43.41 51.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.0 149.73 46.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.969 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -92.07 -58.16 2.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -47.72 -53.15 15.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -40.91 135.97 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.24 -39.9 3.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -146.3 137.96 24.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.984 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.518 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 15.7 tp -103.36 155.94 18.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -131.46 118.28 19.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.241 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 28.4 mt -89.13 175.73 7.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -81.9 154.69 70.43 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 115.08 4.18 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.525 1.803 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 63.4 m -80.99 167.87 19.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 108.293 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.2 p -75.84 -36.21 59.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.371 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 162.41 -64.63 0.26 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -48.29 -62.93 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.776 ' HA ' HD12 ' A' ' 44' ' ' LEU . 17.1 mm-40 -51.79 -35.58 44.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.474 ' HG2' ' CE2' ' A' ' 46' ' ' TYR . 29.1 ttp180 -53.71 -47.73 70.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.442 ' HG2' ' N ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -67.87 -29.38 68.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.776 HD12 ' HA ' ' A' ' 41' ' ' GLN . 70.4 mt -65.38 -51.61 59.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.625 ' HA ' HD11 ' A' ' 13' ' ' ILE . 95.5 mt -53.3 -47.05 57.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.474 ' CE2' ' HG2' ' A' ' 42' ' ' ARG . 20.7 m-85 -63.91 -55.02 25.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -48.28 -53.17 18.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.495 HG21 HG12 ' A' ' 13' ' ' ILE . 29.9 m -56.59 -67.24 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.418 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.482 HD21 HD13 ' A' ' 20' ' ' ILE . 70.5 mt -48.7 -24.33 1.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.5 OUTLIER -54.83 -39.61 68.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.968 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.41 ' CZ3' ' HG3' ' A' ' 52' ' ' LYS . 42.8 p-90 -110.78 -32.01 7.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 108.018 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.576 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -61.95 -34.24 75.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.576 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 75.2 m-85 -155.56 81.23 3.98 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -45.61 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.64 120.42 25.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 148.95 -34.3 1.12 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.597 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.4 pp -131.66 167.53 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.536 ' HB2' HG21 ' A' ' 76' ' ' VAL . 3.7 t-80 -131.27 104.34 6.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.599 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.5 t -78.53 112.91 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.489 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 0.3 OUTLIER -114.36 150.46 34.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.257 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.455 ' HG1' ' HH ' ' A' ' 46' ' ' TYR . 73.0 m . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.393 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 89.6 mt -70.47 136.11 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.487 ' C ' HD12 ' A' ' 73' ' ' ILE . 19.4 t -131.61 139.28 51.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.663 ' N ' HD12 ' A' ' 73' ' ' ILE . 3.5 mp -112.38 121.24 64.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.4 t -109.03 150.13 28.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.97 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -73.34 129.07 37.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.536 HG21 ' HB2' ' A' ' 58' ' ' HIS . 96.9 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -68.56 -42.3 78.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -32.64 62.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -72.45 -60.23 2.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.572 ' CE2' ' HG2' ' A' ' 41' ' ' GLN . 7.6 t80 -49.62 -53.39 24.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.628 HD11 ' HA ' ' A' ' 45' ' ' ILE . 5.6 tp -55.36 -51.57 55.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.448 ' N ' HG23 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -49.43 -55.86 11.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -45.79 -40.59 9.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 19' ' ' LYS . 92.7 t -68.27 -49.06 70.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.6 mm -40.87 -42.17 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -58.79 -47.35 85.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 16' ' ' VAL . 8.0 mttm -55.91 -39.7 71.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.723 HG22 ' CD1' ' A' ' 24' ' ' LEU . 18.5 mt -70.51 -62.56 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 20' ' ' ILE . 8.1 mm-40 -38.25 -57.73 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.89 -51.82 62.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.517 ' CG ' ' HB2' ' A' ' 32' ' ' LEU . 2.4 t80 -57.09 -27.01 61.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.723 ' CD1' HG22 ' A' ' 20' ' ' ILE . 17.1 mt -86.0 -15.95 39.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -81.26 -35.41 31.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.78 145.2 47.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.981 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.6 -36.04 13.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.26 -48.83 66.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -49.77 129.34 19.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -115.49 -33.85 5.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.339 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.18 129.21 16.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.517 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 32.4 tp -96.55 162.09 13.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -129.08 114.3 16.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 34' ' ' LEU . 18.9 mt -88.71 161.49 16.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -72.97 151.4 90.65 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 109.67 2.97 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.484 1.781 . . . . 0.0 111.049 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 95.0 m -74.18 168.09 20.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 108.272 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.1 p -79.07 -44.84 21.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.38 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -179.43 -62.77 0.07 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.549 1.155 . . . . 0.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.421 ' O ' ' CG ' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -57.19 -66.04 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 0.74 . . . . 0.0 110.976 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.914 ' HA ' HD12 ' A' ' 44' ' ' LEU . 6.2 mp0 -42.42 -43.11 3.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.323 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.74 -51.7 59.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -66.93 -28.96 68.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.914 HD12 ' HA ' ' A' ' 41' ' ' GLN . 67.5 mt -65.07 -53.94 37.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.628 ' HA ' HD11 ' A' ' 13' ' ' ILE . 97.2 mt -50.37 -52.44 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -59.47 -49.87 76.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.435 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.2 OUTLIER -49.85 -52.44 32.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.268 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.427 HG23 ' HG3' ' A' ' 52' ' ' LYS . 3.5 m -61.07 -64.24 1.02 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 110.344 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.534 HD21 HD13 ' A' ' 20' ' ' ILE . 86.6 mt -48.41 -24.24 1.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.4 OUTLIER -54.21 -40.96 68.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 109.98 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.45 ' CZ3' ' CG ' ' A' ' 52' ' ' LYS . 46.1 p-90 -110.99 -32.03 6.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 108.014 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.569 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -57.84 -42.12 83.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.569 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 79.7 m-85 -151.96 79.85 6.22 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -43.04 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.499 1.789 . . . . 0.0 111.004 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.83 108.8 10.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.08 -33.49 0.43 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.468 1.105 . . . . 0.0 110.962 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.609 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.5 pp -133.79 164.07 35.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 0.79 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.444 ' N ' HG23 ' A' ' 76' ' ' VAL . 12.0 t60 -128.28 102.09 6.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.563 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.51 ' CG1' HG23 ' A' ' 71' ' ' ILE . 39.2 t -78.36 111.73 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.419 ' HB3' ' NE2' ' A' ' 58' ' ' HIS . 17.4 pt-20 -114.54 154.17 28.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.1 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.39 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.435 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.597 -0.519 . . . . 0.0 109.597 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.51 HG23 ' CG1' ' A' ' 59' ' ' VAL . 94.9 mt -76.65 143.34 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.264 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.48 ' C ' HD12 ' A' ' 73' ' ' ILE . 3.0 t -138.42 130.38 38.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.79 ' N ' HD12 ' A' ' 73' ' ' ILE . 2.1 mp -102.29 111.98 33.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.9 m -110.99 131.51 54.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -53.56 142.86 21.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.444 HG23 ' N ' ' A' ' 58' ' ' HIS . 91.2 t . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 41.1 t0 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.707 ' HB2' HD13 ' A' ' 44' ' ' LEU . 10.5 pt20 -69.9 -27.02 64.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -53.32 -42.08 66.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -68.5 -39.17 81.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.406 ' CZ ' ' HB3' ' A' ' 41' ' ' GLN . 9.9 t80 -65.7 -55.64 16.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.546 HD11 ' HA ' ' A' ' 45' ' ' ILE . 6.6 tp -55.93 -49.34 75.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.405 ' N ' HG23 ' A' ' 13' ' ' ILE . 11.4 t70 -50.4 -54.78 19.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -47.5 -40.39 18.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.548 HG13 HD21 ' A' ' 34' ' ' LEU . 98.4 t -67.09 -49.6 71.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.532 ' HA ' HD12 ' A' ' 20' ' ' ILE . 7.5 mm -40.68 -49.17 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -52.28 -51.02 60.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -55.51 -38.47 69.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.632 HG22 ' CD1' ' A' ' 24' ' ' LEU . 10.3 mt -66.93 -58.73 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 20' ' ' ILE . 1.2 mt-10 -36.28 -64.83 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 25' ' ' GLN . 10.1 t0 -46.51 -58.98 3.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.807 ' HB2' HD13 ' A' ' 32' ' ' LEU . 1.2 t80 -49.39 -22.17 1.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.632 ' CD1' HG22 ' A' ' 20' ' ' ILE . 23.1 mt -93.65 -28.39 16.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 22' ' ' ASP . 4.4 pt20 -83.5 -13.55 54.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -90.42 140.76 29.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.995 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.6 pt-20 -88.81 -37.83 15.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 29' ' ' LYS . 4.0 mt-10 -67.23 -54.84 17.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 28' ' ' GLU . 26.4 mttt -40.16 127.18 2.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -116.39 -33.16 5.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 110.34 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.32 123.34 11.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.993 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.807 HD13 ' HB2' ' A' ' 23' ' ' PHE . 20.5 tp -88.79 147.17 24.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.071 . . . . 0.0 109.354 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -124.42 117.22 23.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.548 HD21 HG13 ' A' ' 16' ' ' VAL . 31.0 mt -96.15 174.82 6.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -83.42 150.03 59.29 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 123.43 7.91 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.525 1.802 . . . . 0.0 110.973 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 87.2 m -90.1 157.1 17.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 108.349 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.9 t -65.85 -25.77 67.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.375 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 151.53 -48.73 0.55 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.111 . . . . 0.0 111.042 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.86 -64.45 0.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 0.772 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.577 ' HA ' HD12 ' A' ' 44' ' ' LEU . 0.9 OUTLIER -50.75 -31.35 16.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.647 ' HG2' HD11 ' A' ' 71' ' ' ILE . 8.6 ttp180 -59.71 -52.13 66.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 110.256 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.24 -35.09 71.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 109.344 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.707 HD13 ' HB2' ' A' ' 9' ' ' GLN . 45.7 mt -59.71 -60.93 3.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.546 ' HA ' HD11 ' A' ' 13' ' ' ILE . 97.4 mt -43.28 -55.08 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -62.02 -34.3 75.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.978 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -66.82 -36.53 82.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.445 HG23 ' HG3' ' A' ' 52' ' ' LYS . 3.7 m -78.89 -65.22 1.02 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.406 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 64.6 mt -48.47 -24.31 1.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.5 -42.06 66.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.993 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.417 ' CZ3' ' CG ' ' A' ' 52' ' ' LYS . 47.1 p-90 -110.61 -31.58 7.18 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.568 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -59.37 -38.37 80.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.251 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.568 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 64.9 m-85 -152.75 80.24 5.64 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -41.16 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.496 1.788 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.33 113.13 11.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.09 -32.43 0.55 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.581 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.3 pp -132.03 166.91 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.428 ' HB2' HG21 ' A' ' 76' ' ' VAL . 4.6 t60 -128.37 111.67 13.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.591 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.3 t -91.01 131.55 37.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.406 ' CD ' ' HE2' ' A' ' 58' ' ' HIS . 5.8 pt-20 -141.64 151.23 42.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 98.3 m . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.425 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.425 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.647 HD11 ' HG2' ' A' ' 42' ' ' ARG . 92.1 mt -69.36 134.71 29.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.401 ' CG2' ' NE2' ' A' ' 70' ' ' HIS . 2.9 t -133.79 136.81 53.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.481 HG22 ' CE2' ' A' ' 23' ' ' PHE . 4.1 mp -110.08 153.61 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.75 161.67 35.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -83.76 124.25 30.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.428 HG21 ' HB2' ' A' ' 58' ' ' HIS . 61.8 t . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 t70 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.558 ' HB3' HD13 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -76.33 -36.6 58.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.354 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.447 ' O ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -50.25 -41.07 49.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -68.6 -45.47 71.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.473 ' O ' HG23 ' A' ' 16' ' ' VAL . 15.8 t80 -57.71 -57.63 11.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.638 HD11 ' HA ' ' A' ' 45' ' ' ILE . 4.8 tp -53.18 -43.84 50.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.355 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.7 -57.03 13.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -45.17 -37.64 4.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.263 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 12' ' ' PHE . 60.6 t -68.72 -49.12 67.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.1 mm -42.27 -46.37 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -52.5 -49.57 64.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -56.6 -47.69 79.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.539 HG22 HD11 ' A' ' 24' ' ' LEU . 5.7 mt -59.2 -63.85 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -39.29 -54.76 1.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -54.81 -53.0 60.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.632 ' HB2' HD13 ' A' ' 32' ' ' LEU . 1.1 t80 -55.05 -37.4 66.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.539 HD11 HG22 ' A' ' 20' ' ' ILE . 27.2 mt -70.42 -34.73 72.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -63.73 -47.65 80.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.32 145.55 31.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.036 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.43 -54.42 3.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -51.53 -51.12 57.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.355 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 28' ' ' GLU . 19.1 mttt -40.25 129.42 2.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -117.17 -35.61 4.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.3 124.76 12.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.981 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.632 HD13 ' HB2' ' A' ' 23' ' ' PHE . 21.3 tp -91.58 151.86 20.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.244 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -126.11 118.94 26.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.341 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.7 mt -94.0 173.56 7.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.16 153.0 66.05 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.97 4.74 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.525 1.803 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 85.9 m -82.79 175.81 9.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 108.271 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.0 p -81.83 -39.3 24.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.36 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 165.51 -61.67 0.23 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -50.72 -63.89 0.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 111.048 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.73 ' HA ' HD12 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -48.69 -43.84 37.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.266 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.846 ' HG3' HD11 ' A' ' 71' ' ' ILE . 2.0 tpp180 -47.85 -46.29 31.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.438 ' HG2' ' N ' ' A' ' 44' ' ' LEU . 0.7 OUTLIER -69.12 -27.84 65.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.73 HD12 ' HA ' ' A' ' 41' ' ' GLN . 61.0 mt -69.27 -46.69 66.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.638 ' HA ' HD11 ' A' ' 13' ' ' ILE . 88.2 mt -57.91 -42.38 82.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -68.25 -57.54 5.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.112 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.495 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -45.01 -53.04 8.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.137 . . . . 0.0 110.281 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.502 HG23 ' HG3' ' A' ' 52' ' ' LYS . 3.4 m -56.75 -70.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.383 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.408 HD21 HD13 ' A' ' 20' ' ' ILE . 93.0 mt -45.81 -25.84 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.4 OUTLIER -53.62 -40.52 65.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.052 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.437 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 43.6 p-90 -111.11 -32.15 6.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 108.008 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.578 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -60.78 -34.81 75.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.578 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 78.5 m-85 -155.83 81.63 3.81 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -39.34 1.26 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.514 1.797 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.97 115.29 12.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 155.57 -37.37 0.63 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.694 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.3 pp -128.46 162.52 34.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.596 ' HE2' ' CD ' ' A' ' 60' ' ' GLU . 2.0 t60 -125.45 111.99 15.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.587 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 41.0 t -90.46 130.26 39.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.596 ' CD ' ' HE2' ' A' ' 58' ' ' HIS . 5.9 pt-20 -141.27 147.1 37.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 23.5 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.35 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.439 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.846 HD11 ' HG3' ' A' ' 42' ' ' ARG . 28.9 mt -71.54 135.99 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 t -134.04 137.29 52.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.1 mp -110.2 153.5 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.77 159.74 40.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.956 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -82.11 122.94 28.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.491 HG21 ' HB2' ' A' ' 58' ' ' HIS . 93.6 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 t0 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.834 ' HB2' HD13 ' A' ' 44' ' ' LEU . 10.5 pt20 -68.33 -25.11 64.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -38.83 71.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.6 mttt -72.87 -39.88 66.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.068 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.446 ' CE2' ' HG2' ' A' ' 41' ' ' GLN . 9.5 t80 -63.73 -54.24 38.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.44 HD11 ' HA ' ' A' ' 45' ' ' ILE . 7.2 tp -55.57 -50.93 63.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.427 ' N ' HG23 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -49.43 -56.34 10.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.275 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -46.44 -39.52 10.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.296 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 12' ' ' PHE . 89.9 t -68.93 -48.08 72.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.42 ' HA ' HD12 ' A' ' 20' ' ' ILE . 8.2 mm -40.53 -49.55 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -50.74 -56.5 11.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -51.05 -45.64 61.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.449 HG22 ' CD1' ' A' ' 24' ' ' LEU . 29.7 mt -58.53 -55.96 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -50.98 -57.74 7.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -48.64 -45.74 38.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.78 ' HB2' HD13 ' A' ' 32' ' ' LEU . 0.9 OUTLIER -63.66 -43.07 97.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.967 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.449 ' CD1' HG22 ' A' ' 20' ' ' ILE . 27.2 mt -65.68 -33.13 75.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -59.4 -54.75 43.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.31 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.55 147.52 21.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -92.51 -65.31 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -41.15 -44.65 2.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.1 mttm -40.17 132.99 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.02 -38.47 3.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.78 137.09 24.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.987 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.78 HD13 ' HB2' ' A' ' 23' ' ' PHE . 17.1 tp -104.26 154.97 19.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -122.59 124.22 42.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.466 HD12 HD11 ' A' ' 73' ' ' ILE . 30.4 mt -100.19 171.39 7.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -78.05 152.33 79.47 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 118.11 5.15 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.543 1.812 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 33.7 m -82.38 157.41 23.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 108.286 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.407 HG22 ' H ' ' A' ' 38' ' ' THR . 0.9 OUTLIER -75.04 -24.55 58.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.397 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 153.34 -65.52 0.34 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.466 1.104 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -52.26 -63.45 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.498 ' HA ' HD12 ' A' ' 44' ' ' LEU . 1.3 mp0 -48.25 -42.46 30.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.72 -53.01 20.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.3 mttt -57.91 -40.94 81.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.834 HD13 ' HB2' ' A' ' 9' ' ' GLN . 32.4 mt -52.79 -55.4 23.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.44 ' HA ' HD11 ' A' ' 13' ' ' ILE . 96.8 mt -47.85 -59.74 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.404 ' OH ' ' OG1' ' A' ' 61' ' ' THR . 20.5 m-85 -55.34 -37.57 67.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.39 -48.3 80.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.601 HG23 ' HG3' ' A' ' 52' ' ' LYS . 2.3 m -66.96 -59.37 3.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.333 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.6 mt -50.89 -22.3 2.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.1 -41.93 72.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.506 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 48.1 p-90 -110.61 -31.93 7.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 107.997 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.601 ' HG3' HG23 ' A' ' 48' ' ' THR . 0.1 OUTLIER -59.91 -37.53 79.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.572 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 52.8 m-85 -158.44 79.96 3.03 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -45.37 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.48 1.779 . . . . 0.0 111.004 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.2 120.12 24.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 148.71 -32.45 1.2 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.701 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.3 pp -132.11 162.04 40.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 0.76 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.578 ' HE1' ' HB3' ' A' ' 60' ' ' GLU . 1.5 t-80 -125.93 113.94 17.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.633 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.5 t -94.31 125.42 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.578 ' HB3' ' HE1' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -129.69 151.96 49.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.404 ' OG1' ' OH ' ' A' ' 46' ' ' TYR . 47.4 m . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.425 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.469 ' NE2' ' CG2' ' A' ' 72' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.8 mt -74.59 141.81 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.469 ' CG2' ' NE2' ' A' ' 70' ' ' HIS . 4.2 t -138.22 135.66 44.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.426 1.079 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.612 ' N ' HD12 ' A' ' 73' ' ' ILE . 3.6 mp -108.77 148.07 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 t -136.25 157.35 47.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 110.0 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.562 ' HE3' ' CE1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -80.67 125.82 30.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.49 HG21 ' HB2' ' A' ' 58' ' ' HIS . 61.3 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.2 t70 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.623 ' HB2' HD13 ' A' ' 44' ' ' LEU . 10.4 pt20 -86.04 -15.79 40.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -40.95 91.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -70.25 -40.12 74.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.441 ' CD1' ' N ' ' A' ' 13' ' ' ILE . 1.9 t80 -63.74 -53.54 49.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.528 ' CG1' HG21 ' A' ' 48' ' ' THR . 6.6 tp -57.93 -48.67 83.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.14 -53.14 37.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -50.29 -38.55 41.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.319 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.644 HG13 HD21 ' A' ' 34' ' ' LEU . 88.7 t -67.93 -50.13 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 16' ' ' VAL . 5.9 mm -40.12 -51.69 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -49.48 -49.13 46.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 110.271 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -56.56 -47.71 78.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.535 ' CD1' HD21 ' A' ' 49' ' ' LEU . 69.1 mt -61.54 -66.96 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 20' ' ' ILE . 4.4 mm-40 -38.81 -51.34 1.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.239 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -57.3 -50.33 73.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.519 ' CG ' ' HB2' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -59.2 -35.16 73.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.501 ' CD1' HG22 ' A' ' 20' ' ' ILE . 36.6 mt -75.68 -25.98 57.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -69.48 -45.52 68.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.295 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 t -60.79 144.3 52.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.996 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -90.54 -39.7 12.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.322 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -66.37 -54.34 25.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 110.259 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -40.37 128.34 2.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -111.95 -34.67 5.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.37 144.66 30.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.519 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 37.5 tp -114.08 153.72 28.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -125.5 116.39 21.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.644 HD21 HG13 ' A' ' 16' ' ' VAL . 27.3 mt -85.48 175.5 8.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -78.2 157.13 78.63 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.353 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 117.49 4.93 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.526 1.803 . . . . 0.0 110.972 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 61.7 m -83.45 169.26 15.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 108.331 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.97 -33.29 14.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.371 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 164.29 -64.14 0.24 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.5 -63.28 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.612 ' HA ' HD12 ' A' ' 44' ' ' LEU . 10.5 mt-30 -45.74 -52.37 11.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.278 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.782 ' HG3' HD11 ' A' ' 71' ' ' ILE . 50.2 ttp85 -42.02 -53.47 3.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.347 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.88 -38.45 70.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.623 HD13 ' HB2' ' A' ' 9' ' ' GLN . 33.2 mt -60.66 -60.2 4.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 92.8 mt -42.92 -58.49 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -56.48 -40.38 74.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.1 OUTLIER -60.45 -54.0 50.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.528 HG21 ' CG1' ' A' ' 13' ' ' ILE . 3.2 m -58.74 -59.19 5.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.39 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.535 HD21 ' CD1' ' A' ' 20' ' ' ILE . 76.1 mt -53.74 -20.13 5.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 1.3 t -57.96 -39.56 78.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 110.012 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.474 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 42.3 p-90 -111.88 -32.68 6.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 108.006 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.562 ' HB3' ' CE2' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -60.15 -31.24 69.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 64.4 m-85 -158.0 82.1 2.92 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -46.44 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.533 1.807 . . . . 0.0 110.965 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.15 117.21 18.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 154.78 -38.86 0.65 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.526 1.142 . . . . 0.0 111.011 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.674 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.1 pp -129.2 168.49 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.256 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.64 ' HB2' HG21 ' A' ' 76' ' ' VAL . 2.3 t-80 -134.23 109.58 8.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.574 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 56.8 t -82.25 125.05 39.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.43 1.081 . . . . 0.0 109.313 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.99 146.63 47.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 13.2 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.419 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.499 ' NE2' ' CG2' ' A' ' 72' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.782 HD11 ' HG3' ' A' ' 42' ' ' ARG . 38.6 mt -75.16 141.8 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.8 ' C ' HD12 ' A' ' 73' ' ' ILE . 3.7 t -138.46 146.86 25.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.8 HD12 ' C ' ' A' ' 72' ' ' VAL . 2.0 mp -119.21 122.48 69.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.7 t -108.87 153.57 23.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.991 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.37 128.09 33.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.64 HG21 ' HB2' ' A' ' 58' ' ' HIS . 92.6 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.74 ' HB2' HD13 ' A' ' 44' ' ' LEU . 10.4 pt20 -66.23 -29.75 70.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -36.18 61.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.4 mmtt -76.1 -39.86 54.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.533 ' CE2' ' HG2' ' A' ' 41' ' ' GLN . 9.4 t80 -62.62 -53.81 49.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.566 ' CG1' HG21 ' A' ' 48' ' ' THR . 6.4 tp -54.68 -53.01 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.476 ' N ' HG23 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -49.35 -54.25 18.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -48.56 -37.07 16.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.293 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 12' ' ' PHE . 96.6 t -72.32 -48.58 47.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.434 ' HA ' HD12 ' A' ' 20' ' ' ILE . 9.3 mm -40.19 -46.37 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -52.09 -48.77 64.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 16' ' ' VAL . 21.6 mttt -56.67 -44.9 81.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.542 HG22 ' CD1' ' A' ' 24' ' ' LEU . 14.3 mt -62.11 -63.66 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.165 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -38.68 -56.25 1.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -54.52 -53.58 52.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.522 ' CG ' ' HB2' ' A' ' 32' ' ' LEU . 1.3 t80 -53.87 -36.18 62.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.542 ' CD1' HG22 ' A' ' 20' ' ' ILE . 28.6 mt -72.3 -40.41 67.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -56.55 -51.32 69.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.255 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.401 ' CB ' ' HD2' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -54.99 146.78 16.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.0 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -92.27 -57.14 2.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -49.17 -50.97 35.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.401 ' HD2' ' CB ' ' A' ' 26' ' ' SER . 22.3 mttp -40.3 126.05 2.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.8 mmt-85 -115.89 -33.58 5.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.122 . . . . 0.0 110.289 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.06 129.39 16.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.522 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 34.2 tp -97.17 151.49 19.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -127.93 120.69 28.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.356 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 26.6 mt -91.96 175.93 6.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.282 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -86.64 152.72 54.79 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 110.61 3.15 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.525 1.803 . . . . 0.0 110.949 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.4 p -86.76 -168.55 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 108.324 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.414 ' OG1' ' N ' ' A' ' 39' ' ' GLY . 31.1 p -85.1 -62.24 1.58 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.443 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.414 ' N ' ' OG1' ' A' ' 38' ' ' THR . . . -178.39 -63.47 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -41.04 -61.91 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 0.0 111.013 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.533 ' HG2' ' CE2' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -49.29 -47.49 46.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.779 ' HG2' HD11 ' A' ' 71' ' ' ILE . 10.9 ttp180 -43.96 -50.34 8.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -60.44 -39.73 88.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.74 HD13 ' HB2' ' A' ' 9' ' ' GLN . 28.6 mt -59.61 -48.26 82.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 67.0 mt -53.49 -57.53 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -57.76 -42.85 84.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.483 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.4 OUTLIER -57.39 -52.43 65.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.616 HG23 ' HG3' ' A' ' 52' ' ' LYS . 2.3 m -59.73 -63.04 1.44 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.137 . . . . 0.0 110.391 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.4 mt -49.52 -23.36 1.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 1.0 OUTLIER -54.37 -41.9 69.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.521 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 48.7 p-90 -110.77 -32.28 6.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 107.98 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.616 ' HG3' HG23 ' A' ' 48' ' ' THR . 0.0 OUTLIER -59.02 -36.99 75.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.57 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 58.8 m-85 -156.69 79.51 3.78 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -38.29 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.485 1.781 . . . . 0.0 111.033 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.31 117.79 14.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 151.96 -36.99 0.82 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.477 1.11 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.679 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.1 pp -129.47 165.95 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.536 ' HB2' HG21 ' A' ' 76' ' ' VAL . 1.6 t60 -126.99 118.24 24.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.613 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 62.1 t -97.11 133.39 38.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.448 ' OE1' ' NE2' ' A' ' 58' ' ' HIS . 2.4 pt-20 -142.09 139.78 32.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.359 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.538 ' CE1' ' CG2' ' A' ' 72' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.779 HD11 ' HG2' ' A' ' 42' ' ' ARG . 72.1 mt -86.31 141.22 14.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.538 ' CG2' ' CE1' ' A' ' 70' ' ' HIS . 3.9 t -138.01 137.21 44.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.177 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.404 ' N ' HD12 ' A' ' 73' ' ' ILE . 3.8 mp -109.91 154.71 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.69 163.11 31.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.004 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -86.81 122.15 30.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.253 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.536 HG21 ' HB2' ' A' ' 58' ' ' HIS . 94.0 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.4 t0 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.805 ' HB2' HD13 ' A' ' 44' ' ' LEU . 0.8 OUTLIER -74.52 -15.45 60.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.51 -42.17 78.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -71.64 -36.15 70.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.544 ' CE2' ' HG2' ' A' ' 41' ' ' GLN . 9.3 t80 -67.68 -55.84 11.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.636 HD11 ' HA ' ' A' ' 45' ' ' ILE . 6.3 tp -53.89 -52.47 35.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.464 ' N ' HG23 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -47.95 -56.89 6.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -45.68 -40.14 8.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.331 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 19' ' ' LYS . 95.3 t -70.96 -46.33 68.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.0 mm -41.71 -39.34 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -60.79 -46.6 89.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 16' ' ' VAL . 8.7 mttm -58.01 -47.91 81.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.78 HG22 ' CD1' ' A' ' 24' ' ' LEU . 72.7 mt -61.84 -61.88 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' ILE . 1.7 mt-10 -37.07 -63.38 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.79 -56.07 9.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.581 ' CE1' ' HE3' ' A' ' 75' ' ' LYS . 1.9 t80 -51.81 -36.66 48.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.78 ' CD1' HG22 ' A' ' 20' ' ' ILE . 18.1 mt -73.27 -36.59 66.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -63.77 -46.28 85.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.9 145.84 39.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.964 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -92.51 -53.99 3.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -51.54 -49.49 61.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -41.12 132.16 2.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.03 -40.21 3.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.353 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -144.97 125.0 13.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.996 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.566 ' HB2' ' CD1' ' A' ' 23' ' ' PHE . 14.9 tp -96.37 130.06 43.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -103.83 120.87 41.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 34' ' ' LEU . 27.0 mt -91.85 170.69 9.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -83.84 148.49 54.36 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 114.56 4.05 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.43 1.753 . . . . 0.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.6 p -90.19 -158.85 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 108.308 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 39' ' ' GLY . 20.9 p -85.75 -61.64 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.377 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.448 ' N ' ' OG1' ' A' ' 38' ' ' THR . . . 175.77 -49.5 0.12 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.461 1.101 . . . . 0.0 111.046 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -54.23 -59.54 4.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 111.006 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.726 ' HA ' HD12 ' A' ' 44' ' ' LEU . 5.8 mp0 -49.73 -51.42 38.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.823 ' HG3' HD11 ' A' ' 71' ' ' ILE . 25.5 ttp85 -42.37 -50.88 5.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.325 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -58.19 -38.9 77.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.805 HD13 ' HB2' ' A' ' 9' ' ' GLN . 34.8 mt -59.56 -50.39 74.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.636 ' HA ' HD11 ' A' ' 13' ' ' ILE . 91.3 mt -52.86 -58.03 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.148 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.599 ' CZ ' HG12 ' A' ' 59' ' ' VAL . 17.4 m-85 -54.72 -44.36 73.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.507 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -57.97 -53.12 61.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.253 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.416 HG23 ' HG3' ' A' ' 52' ' ' LYS . 1.4 m -58.07 -59.81 4.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.397 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.614 HD21 ' CD1' ' A' ' 20' ' ' ILE . 59.5 mt -54.54 -19.99 6.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 1.0 OUTLIER -58.35 -38.07 76.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.994 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.553 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 54.4 p-90 -111.93 -32.25 6.66 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.586 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.7 OUTLIER -61.92 -31.84 72.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.586 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 63.3 m-85 -160.5 84.07 2.02 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -35.82 2.97 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.518 1.799 . . . . 0.0 110.974 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.3 104.64 5.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 175.25 -46.04 0.13 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.51 HD11 ' CB ' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -131.34 -178.06 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 109.327 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.815 ' HB2' HG21 ' A' ' 76' ' ' VAL . 1.9 t-80 -142.12 110.59 6.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.564 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.694 HG13 HG23 ' A' ' 71' ' ' ILE . 22.0 t -83.63 127.49 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -139.24 140.99 37.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.361 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.4 m . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 110.4 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.457 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.823 HD11 ' HG3' ' A' ' 42' ' ' ARG . 86.9 mt -69.0 138.99 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.6 t -133.85 131.14 56.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.61 ' N ' HD12 ' A' ' 73' ' ' ILE . 3.9 mp -104.24 111.95 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.508 ' O ' HG23 ' A' ' 76' ' ' VAL . 2.1 m -109.0 129.36 55.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.964 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.581 ' HE3' ' CE1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -53.52 132.11 39.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.815 HG21 ' HB2' ' A' ' 58' ' ' HIS . 53.2 t . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.547 ' HB3' HD13 ' A' ' 44' ' ' LEU . 58.0 mm-40 -64.75 -19.89 66.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.54 -35.65 79.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.7 mttp -75.81 -37.94 58.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.564 ' CE2' ' HG2' ' A' ' 41' ' ' GLN . 4.3 t80 -64.56 -51.87 60.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.602 HD11 ' HA ' ' A' ' 45' ' ' ILE . 4.9 tp -58.35 -53.8 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.48 ' N ' HG23 ' A' ' 13' ' ' ILE . 11.0 t0 -45.88 -54.54 8.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -48.02 -44.0 30.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 12' ' ' PHE . 96.1 t -62.43 -51.01 77.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 16' ' ' VAL . 6.8 mm -39.91 -55.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -41.49 -50.54 3.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.27 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -60.71 -45.09 95.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.674 HD13 HD21 ' A' ' 49' ' ' LEU . 72.0 mt -59.96 -66.25 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -38.61 -57.61 1.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.5 -54.77 28.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.569 ' HB2' HD13 ' A' ' 32' ' ' LEU . 2.2 t80 -53.27 -37.26 62.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.539 HD21 HG21 ' A' ' 57' ' ' ILE . 35.2 mt -71.71 -32.23 67.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -68.5 -58.81 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.242 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.26 147.23 1.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.988 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.14 -59.57 2.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.71 -47.9 20.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -42.39 127.89 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -117.42 -35.66 3.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.0 129.7 17.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.963 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.569 HD13 ' HB2' ' A' ' 23' ' ' PHE . 26.5 tp -96.35 157.57 15.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.429 ' HG2' HG22 ' A' ' 72' ' ' VAL . 32.6 mt-10 -131.08 128.32 39.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 34' ' ' LEU . 22.3 mt -104.81 166.36 10.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.19 155.67 92.79 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 116.99 4.75 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.471 1.774 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 37.6 m -90.08 175.36 7.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 108.299 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.0 t -89.23 -23.51 22.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.077 . . . . 0.0 110.404 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.13 -74.06 0.27 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.566 ' CD1' ' HD3' ' A' ' 43' ' ' LYS . 43.2 t80 -37.5 -62.3 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 0.752 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.694 ' HA ' HD12 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -42.21 -52.46 4.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -45.75 -50.53 13.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.566 ' HD3' ' CD1' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -58.47 -29.65 66.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.581 1.175 . . . . 0.0 109.334 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.694 HD12 ' HA ' ' A' ' 41' ' ' GLN . 26.7 mt -71.1 -48.63 51.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.602 ' HA ' HD11 ' A' ' 13' ' ' ILE . 89.6 mt -58.41 -48.62 84.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -63.34 -36.39 83.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.497 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.7 OUTLIER -62.3 -52.5 63.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.324 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.478 HG23 ' HE2' ' A' ' 52' ' ' LYS . 1.0 OUTLIER -57.82 -63.78 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.376 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.674 HD21 HD13 ' A' ' 20' ' ' ILE . 47.9 mt -49.37 -24.16 1.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.078 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 1.0 OUTLIER -54.23 -40.23 67.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.986 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.547 ' CH2' ' HG3' ' A' ' 52' ' ' LYS . 55.0 p-90 -111.8 -32.15 6.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 108.022 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.584 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.7 OUTLIER -62.63 -44.7 95.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.584 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 72.8 m-85 -154.78 80.83 4.42 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -35.69 2.99 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.526 1.803 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.95 108.0 7.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 172.72 -39.22 0.15 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.502 1.127 . . . . 0.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.539 HG21 HD21 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -129.23 -176.92 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.462 0.742 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.419 ' HB2' HG21 ' A' ' 76' ' ' VAL . 10.9 t60 -136.94 114.86 11.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.615 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.6 t -93.23 135.97 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -143.98 144.05 31.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.437 179.98 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.445 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 30.0 mt -71.18 131.18 34.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.429 HG22 ' HG2' ' A' ' 33' ' ' GLU . 3.9 t -126.92 140.32 49.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.446 ' N ' HD12 ' A' ' 73' ' ' ILE . 4.7 mp -113.36 153.43 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.88 161.68 35.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.009 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -83.65 124.03 30.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.419 HG21 ' HB2' ' A' ' 58' ' ' HIS . 91.7 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.258 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.64 ' HB2' HD13 ' A' ' 44' ' ' LEU . 10.2 pt20 -76.13 -28.53 57.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.273 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.75 -37.99 60.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -73.52 -50.34 21.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.603 ' CE1' ' OE1' ' A' ' 41' ' ' GLN . 9.1 t80 -56.0 -53.7 53.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.605 HD11 ' HA ' ' A' ' 45' ' ' ILE . 6.6 tp -54.99 -49.98 66.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.416 ' N ' HG23 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -51.33 -56.16 14.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -45.88 -38.29 7.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.614 HG12 HD11 ' A' ' 20' ' ' ILE . 97.9 t -70.24 -49.07 57.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.61 ' HA ' HD12 ' A' ' 20' ' ' ILE . 7.6 mm -40.07 -48.13 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -50.78 -58.19 6.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -51.68 -39.22 57.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.614 HD11 HG12 ' A' ' 16' ' ' VAL . 14.0 mt -65.11 -47.28 88.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -56.08 -52.96 62.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 0.0 110.347 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.414 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 2.1 t0 -55.67 -31.25 62.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.563 ' HB2' HD13 ' A' ' 32' ' ' LEU . 2.0 t80 -77.33 -23.7 50.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.5 mt -93.11 -33.83 13.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 22' ' ' ASP . 6.8 pt20 -66.78 -37.79 85.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.413 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 1.9 t -70.05 152.89 43.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.037 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -92.21 -66.76 0.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -42.86 -49.9 5.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 110.352 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.413 ' CG ' ' HB3' ' A' ' 26' ' ' SER . 36.6 mttt -40.1 126.45 2.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.04 -36.7 3.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 73' ' ' ILE . 0.8 OUTLIER -146.16 129.76 16.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.033 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.563 HD13 ' HB2' ' A' ' 23' ' ' PHE . 17.9 tp -96.25 157.28 15.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -129.07 115.76 18.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 110.315 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.699 HD12 HD11 ' A' ' 73' ' ' ILE . 27.4 mt -94.71 176.68 6.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -87.38 152.19 52.06 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 115.75 4.38 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.498 1.788 . . . . 0.0 111.031 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 67.6 m -78.01 159.4 28.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 108.31 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.3 t -67.33 -21.94 65.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.374 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 146.46 -60.32 0.48 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -52.06 -61.38 2.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 0.756 . . . . 0.0 110.961 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.603 ' OE1' ' CE1' ' A' ' 12' ' ' PHE . 20.5 mm-40 -48.95 -50.62 34.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.683 ' HG3' HD11 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -42.02 -52.7 4.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.338 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -57.18 -40.99 78.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.3 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.64 HD13 ' HB2' ' A' ' 9' ' ' GLN . 28.7 mt -58.29 -53.02 63.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.605 ' HA ' HD11 ' A' ' 13' ' ' ILE . 98.7 mt -50.87 -59.57 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -53.92 -42.23 68.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.495 ' O ' ' CB ' ' A' ' 50' ' ' SER . 1.0 OUTLIER -57.35 -54.67 44.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.519 HG23 ' HG3' ' A' ' 52' ' ' LYS . 2.4 m -59.62 -60.73 3.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 110.386 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.407 HD13 HG21 ' A' ' 59' ' ' VAL . 59.5 mt -50.68 -22.96 2.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 1.4 t -54.44 -41.62 69.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.969 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 41.2 p-90 -110.69 -31.86 7.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 107.993 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.553 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -59.89 -35.11 74.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.553 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 57.0 m-85 -156.98 81.67 3.31 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -50.33 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.452 1.764 . . . . 0.0 110.965 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.81 121.45 34.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 147.03 -35.97 1.24 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.755 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.3 pp -132.58 161.05 42.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.625 ' CE1' ' HB3' ' A' ' 60' ' ' GLU . 6.2 t-80 -128.07 103.62 7.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.6 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.474 ' CG1' HG23 ' A' ' 71' ' ' ILE . 43.3 t -77.42 104.53 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.625 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 10.0 pt-20 -109.52 159.11 17.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.362 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.0 m . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.36 -179.947 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.424 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.683 HD11 ' HG3' ' A' ' 42' ' ' ARG . 92.9 mt -77.82 143.2 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.42 ' C ' HD12 ' A' ' 73' ' ' ILE . 2.4 t -138.62 132.33 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.824 ' N ' HD12 ' A' ' 73' ' ' ILE . 2.1 mp -101.92 111.86 33.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.456 ' O ' HG23 ' A' ' 76' ' ' VAL . 2.0 m -108.44 127.46 53.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.026 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -54.15 139.08 36.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.574 HG21 ' HB2' ' A' ' 58' ' ' HIS . 69.4 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 t70 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.68 ' HB2' HD13 ' A' ' 44' ' ' LEU . 9.7 pt20 -75.58 -16.29 60.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.259 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -64.06 -36.84 85.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -72.78 -46.92 50.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.489 ' CZ ' ' HG2' ' A' ' 41' ' ' GLN . 6.8 t80 -57.98 -53.66 55.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.632 HD11 ' HA ' ' A' ' 45' ' ' ILE . 6.9 tp -56.41 -49.5 76.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.405 ' N ' HG23 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -51.39 -53.16 39.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -49.29 -38.06 26.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 12' ' ' PHE . 94.1 t -69.25 -49.87 57.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 16' ' ' VAL . 7.7 mm -40.06 -51.94 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -48.69 -51.33 29.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -53.16 -49.15 67.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.494 ' CD1' HD21 ' A' ' 49' ' ' LEU . 31.8 mt -57.81 -62.2 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -40.58 -50.49 2.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.06 -50.03 74.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.868 ' HB2' HD13 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -58.17 -35.84 72.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 110.944 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.416 HD21 HG21 ' A' ' 57' ' ' ILE . 47.2 mt -74.07 -40.29 62.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -56.44 -43.06 79.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.446 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -67.92 146.13 53.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.981 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.44 -64.68 1.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.35 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.1 -43.45 3.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.245 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.446 ' CG ' ' HB3' ' A' ' 26' ' ' SER . 16.9 mttp -43.14 135.16 3.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.16 -36.74 3.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.89 149.9 35.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.153 . . . . 0.0 110.011 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.868 HD13 ' HB2' ' A' ' 23' ' ' PHE . 24.8 tp -112.93 148.31 35.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -122.12 123.69 42.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.0 mt -99.64 175.27 5.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -83.42 152.04 63.43 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 120.08 5.92 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.484 1.781 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.443 ' HB2' ' CG ' ' A' ' 42' ' ' ARG . 74.6 m -90.04 -171.49 3.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 108.313 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.7 t -93.62 -29.7 15.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 110.45 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 154.49 -52.0 0.46 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.506 ' O ' ' CG ' ' A' ' 43' ' ' LYS . 5.5 t80 -58.8 -65.23 0.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 0.742 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.571 ' HA ' HD12 ' A' ' 44' ' ' LEU . 10.2 mt-30 -40.5 -41.96 1.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.443 ' CG ' ' HB2' ' A' ' 37' ' ' CYS . 6.4 mtm180 -55.43 -52.95 61.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.506 ' CG ' ' O ' ' A' ' 40' ' ' PHE . 1.3 ptpt -57.17 -26.81 61.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.68 HD13 ' HB2' ' A' ' 9' ' ' GLN . 26.8 mt -72.61 -51.33 20.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.632 ' HA ' HD11 ' A' ' 13' ' ' ILE . 59.6 mt -54.99 -51.45 53.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -60.66 -39.9 90.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -65.48 -42.17 92.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.526 HG21 ' CG1' ' A' ' 13' ' ' ILE . 2.8 m -70.41 -59.78 2.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.389 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.494 HD21 ' CD1' ' A' ' 20' ' ' ILE . 79.5 mt -54.11 -20.75 7.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.27 -38.52 74.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.986 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.505 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 51.6 p-90 -111.73 -32.37 6.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 107.963 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.561 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -62.25 -33.02 73.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.561 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 68.3 m-85 -158.09 82.69 2.82 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -46.19 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.91 126.54 38.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 142.49 -33.82 1.86 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.466 1.104 . . . . 0.0 110.951 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.616 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.5 pp -131.02 163.25 37.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.774 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.603 ' HB2' HG21 ' A' ' 76' ' ' VAL . 3.2 t60 -129.77 111.07 12.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.592 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.635 HG22 HG13 ' A' ' 73' ' ' ILE . 21.2 t -99.85 126.6 53.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.503 ' OE1' ' N ' ' A' ' 61' ' ' THR . 0.0 OUTLIER -141.73 165.15 28.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.503 ' N ' ' OE1' ' A' ' 60' ' ' GLU . 4.7 m . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.368 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.412 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.408 HG23 ' CG1' ' A' ' 59' ' ' VAL . 55.1 mt -63.88 129.21 27.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 59' ' ' VAL . 2.3 t -130.64 147.67 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.635 HG13 HG22 ' A' ' 59' ' ' VAL . 4.3 mp -116.8 151.57 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.83 159.35 42.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.003 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.564 ' HE3' ' CE1' ' A' ' 23' ' ' PHE . 0.4 OUTLIER -79.08 125.76 29.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.603 HG21 ' HB2' ' A' ' 58' ' ' HIS . 86.2 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.9 t0 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.8 ' HB2' HD13 ' A' ' 44' ' ' LEU . 7.7 pt20 -76.29 -20.9 56.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -37.59 87.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -72.14 -44.05 63.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.411 ' CZ ' ' HB3' ' A' ' 41' ' ' GLN . 8.2 t80 -61.18 -53.42 57.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.991 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.623 HD11 ' HA ' ' A' ' 45' ' ' ILE . 6.8 tp -57.65 -54.48 30.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.501 ' N ' HG23 ' A' ' 13' ' ' ILE . 56.9 t0 -45.5 -52.52 10.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -50.59 -40.6 52.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.338 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.2 t -66.9 -52.92 39.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.544 ' N ' HD13 ' A' ' 17' ' ' ILE . 3.7 mm -40.27 -41.3 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -59.24 -53.79 54.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 110.294 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -52.57 -42.29 64.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.549 1.156 . . . . 0.0 109.38 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.526 HG22 HD11 ' A' ' 24' ' ' LEU . 71.8 mt -64.21 -61.57 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -39.61 -55.88 1.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.261 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -54.33 -52.32 61.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.717 ' HB2' HD13 ' A' ' 32' ' ' LEU . 1.1 t80 -55.5 -35.89 66.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 111.024 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.526 HD11 HG22 ' A' ' 20' ' ' ILE . 36.5 mt -73.82 -34.45 64.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -59.87 -44.8 93.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.1 146.45 54.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.003 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.27 -51.58 5.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -49.52 67.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -43.63 130.32 5.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -114.28 -34.32 5.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.27 146.07 30.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.991 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.717 HD13 ' HB2' ' A' ' 23' ' ' PHE . 21.2 tp -111.23 155.01 23.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -127.44 120.14 27.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 28.3 mt -94.98 178.14 5.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.17 151.94 60.83 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 114.26 3.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.516 1.798 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.0 p -89.2 168.01 12.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 108.325 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.5 t -70.93 -45.69 63.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.401 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.427 ' HA2' ' NH1' ' A' ' 42' ' ' ARG . . . 169.11 -67.98 0.17 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.413 1.071 . . . . 0.0 111.039 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -38.01 -59.99 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 0.772 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.425 ' NE2' HD12 ' A' ' 44' ' ' LEU . 28.3 mm100 -51.03 -41.07 59.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.679 ' HG2' HD11 ' A' ' 71' ' ' ILE . 5.7 ttm105 -49.71 -54.8 16.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -54.92 -40.8 70.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.343 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.8 HD13 ' HB2' ' A' ' 9' ' ' GLN . 37.3 mt -55.49 -63.91 1.02 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.623 ' HA ' HD11 ' A' ' 13' ' ' ILE . 80.8 mt -40.5 -62.04 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -54.75 -34.67 62.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -66.0 -45.57 81.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.309 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.447 HG23 ' HG3' ' A' ' 52' ' ' LYS . 8.0 m -67.07 -61.28 2.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.418 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.501 HD12 HG21 ' A' ' 59' ' ' VAL . 36.3 mt -51.1 -24.92 4.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.4 -42.7 54.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.989 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.462 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 39.4 p-90 -111.45 -31.64 6.97 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.581 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -61.95 -44.89 95.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.581 ' CD1' ' HB3' ' A' ' 52' ' ' LYS . 77.8 m-85 -146.4 77.28 11.69 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.985 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -49.43 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.536 1.808 . . . . 0.0 111.012 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.94 122.75 38.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 144.57 -34.36 1.6 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.119 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.667 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.1 pp -131.16 165.17 32.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.471 0.748 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.606 ' HB2' HG21 ' A' ' 76' ' ' VAL . 2.5 t-80 -130.18 110.83 11.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.576 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.501 HG21 HD12 ' A' ' 49' ' ' LEU . 59.2 t -87.69 133.68 29.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -142.22 139.59 32.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.3 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.42 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.481 ' CE1' ' CG2' ' A' ' 72' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.679 HD11 ' HG2' ' A' ' 42' ' ' ARG . 35.2 mt -80.86 143.27 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.481 ' CG2' ' CE1' ' A' ' 70' ' ' HIS . 3.8 t -138.17 140.61 39.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.592 ' N ' HD12 ' A' ' 73' ' ' ILE . 3.7 mp -112.21 141.24 28.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -126.68 156.96 40.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.015 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.33 126.0 31.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.606 HG21 ' HB2' ' A' ' 58' ' ' HIS . 96.0 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -73.47 -28.51 61.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.449 ' O ' HG22 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -67.18 -41.58 85.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.4 mmtp -67.17 -49.85 63.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.568 ' CE1' ' OE1' ' A' ' 41' ' ' GLN . 13.1 t80 -55.32 -57.16 12.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.605 HD11 ' HA ' ' A' ' 45' ' ' ILE . 4.7 tp -54.2 -44.06 63.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.44 -55.42 31.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -46.48 -38.26 8.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 12' ' ' PHE . 59.9 t -68.45 -47.8 75.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.3 mm -42.32 -49.5 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -50.41 -50.95 50.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -58.53 -45.86 87.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.638 HG22 ' CD1' ' A' ' 24' ' ' LEU . 84.0 mt -57.97 -64.64 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' ILE . 2.7 mt-10 -37.1 -59.13 0.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.328 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.84 -55.91 14.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.779 ' HB2' HD13 ' A' ' 32' ' ' LEU . 1.5 t80 -52.56 -38.74 60.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.638 ' CD1' HG22 ' A' ' 20' ' ' ILE . 25.0 mt -72.2 -33.42 67.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -63.52 -51.76 64.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.414 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 1.2 t -54.42 142.17 28.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.007 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -92.7 -38.35 11.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 29' ' ' LYS . 5.5 tt0 -66.37 -46.78 75.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.414 ' CG ' ' HB3' ' A' ' 26' ' ' SER . 26.0 mttt -39.93 133.12 1.68 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.244 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.15 -38.17 3.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.1 128.31 16.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.048 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.779 HD13 ' HB2' ' A' ' 23' ' ' PHE . 22.8 tp -96.8 149.31 21.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.41 ' HG2' HG22 ' A' ' 72' ' ' VAL . 53.0 mt-10 -121.57 126.36 48.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.448 HD12 HD11 ' A' ' 73' ' ' ILE . 31.3 mt -103.3 176.43 5.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -75.1 156.39 85.95 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 113.13 3.72 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.472 1.775 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.5 m -75.45 162.98 27.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 108.292 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.8 t -93.96 -25.92 17.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.398 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 162.08 -82.66 0.12 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 0.0 110.962 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -44.74 -57.62 3.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 110.992 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.695 ' HA ' HD12 ' A' ' 44' ' ' LEU . 74.8 mm-40 -45.53 -55.38 6.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.941 ' HG3' HD11 ' A' ' 71' ' ' ILE . 1.8 ttt180 -43.69 -46.67 7.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -61.91 -37.67 85.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.695 HD12 ' HA ' ' A' ' 41' ' ' GLN . 41.3 mt -58.91 -58.82 6.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.251 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.605 ' HA ' HD11 ' A' ' 13' ' ' ILE . 95.3 mt -45.42 -60.5 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.447 ' CE1' ' CG1' ' A' ' 59' ' ' VAL . 19.2 m-85 -51.92 -52.84 47.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.8 OUTLIER -47.25 -54.72 10.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.593 HG23 ' HG3' ' A' ' 52' ' ' LYS . 4.7 m -57.21 -67.76 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.393 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.434 HD21 ' CD1' ' A' ' 20' ' ' ILE . 74.2 mt -46.09 -25.65 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.6 OUTLIER -54.16 -40.65 67.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.019 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.469 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 44.3 p-90 -110.94 -32.38 6.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 107.969 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.593 ' HG3' HG23 ' A' ' 48' ' ' THR . 0.1 OUTLIER -61.05 -33.47 73.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.277 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.574 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 53.4 m-85 -161.86 83.96 1.71 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -36.21 2.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.476 1.777 . . . . 0.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.18 108.61 6.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 173.35 -45.16 0.16 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.483 HD11 ' CB ' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -127.65 -176.91 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 109.346 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.548 ' CD2' ' OE1' ' A' ' 60' ' ' GLU . 1.6 t60 -136.58 116.06 12.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.644 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.447 ' CG1' ' CE1' ' A' ' 46' ' ' TYR . 37.3 t -90.79 133.99 30.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.269 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.548 ' OE1' ' CD2' ' A' ' 58' ' ' HIS . 8.6 pt-20 -140.74 153.71 46.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.263 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.404 HG21 ' NH1' ' A' ' 42' ' ' ARG . 7.5 m . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 110.395 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.705 ' CE1' ' CG2' ' A' ' 72' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.941 HD11 ' HG3' ' A' ' 42' ' ' ARG . 28.3 mt -74.38 141.03 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.705 ' CG2' ' CE1' ' A' ' 70' ' ' HIS . 3.9 t -138.86 137.16 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.448 HD11 HD12 ' A' ' 34' ' ' LEU . 3.8 mp -109.54 152.54 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.72 159.42 41.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -81.1 126.56 31.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.404 HG21 ' HB2' ' A' ' 58' ' ' HIS . 92.9 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.591 ' HB3' HD13 ' A' ' 44' ' ' LEU . 13.4 mm-40 -90.75 -26.12 19.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.2 -35.3 78.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -78.03 -40.51 38.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.861 ' O ' HG23 ' A' ' 16' ' ' VAL . 1.3 t80 -65.08 -40.02 94.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.622 HD11 ' HA ' ' A' ' 45' ' ' ILE . 6.2 tp -71.01 -48.74 54.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -54.54 -43.96 72.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.176 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -61.48 -37.18 82.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.267 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 12' ' ' PHE . 94.8 t -68.56 -50.92 51.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 20' ' ' ILE . 4.4 mt -47.74 -50.08 9.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -45.2 -47.08 12.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -62.18 -34.19 75.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.595 HG22 HD11 ' A' ' 24' ' ' LEU . 65.5 mt -71.17 -60.53 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.429 ' HA ' HD12 ' A' ' 24' ' ' LEU . 1.9 mm-40 -38.12 -51.46 1.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -57.96 -50.33 73.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.74 ' HB2' HD13 ' A' ' 32' ' ' LEU . 1.4 t80 -58.0 -30.97 66.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.595 HD11 HG22 ' A' ' 20' ' ' ILE . 16.7 mt -77.38 -35.24 54.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -60.21 -52.37 65.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.406 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -57.3 148.07 23.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.017 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -92.36 -63.56 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -42.64 -45.71 4.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.246 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.406 ' CG ' ' HB3' ' A' ' 26' ' ' SER . 68.0 mttt -41.77 134.79 2.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.91 -37.64 3.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.02 155.08 42.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.982 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.74 HD13 ' HB2' ' A' ' 23' ' ' PHE . 22.2 tp -118.61 155.33 31.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -123.67 123.92 41.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 27.3 mt -102.99 167.2 9.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.3 p-10 -67.08 150.75 97.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 101.23 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 64.7 m -70.82 178.86 2.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 108.268 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.9 p -92.76 -55.83 3.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.372 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -177.26 -50.96 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.462 ' O ' ' CG ' ' A' ' 43' ' ' LYS . 9.1 t80 -65.62 -64.09 0.94 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 0.77 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.714 ' HA ' HD12 ' A' ' 44' ' ' LEU . 1.6 mt-30 -51.83 -26.16 9.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.653 ' HG2' HD11 ' A' ' 71' ' ' ILE . 1.6 ttm180 -67.37 -47.94 68.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.322 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 40' ' ' PHE . 6.8 ptpt -62.62 -29.37 70.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.714 HD12 ' HA ' ' A' ' 41' ' ' GLN . 64.4 mt -63.05 -52.8 61.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.622 ' HA ' HD11 ' A' ' 13' ' ' ILE . 53.8 mt -53.33 -51.42 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.618 ' CE1' ' CG1' ' A' ' 59' ' ' VAL . 33.9 m-85 -63.56 -34.14 77.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 111.061 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.41 ' O ' ' HB3' ' A' ' 50' ' ' SER . 2.3 tt0 -67.93 -42.6 80.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.519 HG23 ' HG3' ' A' ' 52' ' ' LYS . 16.1 m -68.67 -70.79 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.8 mt -42.97 -31.74 0.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.41 ' HB3' ' O ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -48.45 -41.48 29.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.044 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.569 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 54.6 p-90 -110.68 -32.65 6.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 108.002 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.575 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -61.14 -42.97 99.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.575 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 79.5 m-85 -153.39 80.37 5.25 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -57.54 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.53 1.805 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.26 103.02 12.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 173.75 -50.59 0.15 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.117 . . . . 0.0 111.06 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.554 HG21 HD21 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -127.88 -177.04 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 0.773 . . . . 0.0 109.333 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.487 ' C ' ' CD2' ' A' ' 58' ' ' HIS . 0.9 OUTLIER -139.35 121.71 16.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.607 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.618 ' CG1' ' CE1' ' A' ' 46' ' ' TYR . 36.7 t -93.51 132.8 36.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.42 ' HB3' ' NE2' ' A' ' 58' ' ' HIS . 0.5 OUTLIER -144.35 142.65 30.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 110.327 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.425 ' HG1' ' HH ' ' A' ' 46' ' ' TYR . 53.8 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.423 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.476 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.653 HD11 ' HG2' ' A' ' 42' ' ' ARG . 35.7 mt -63.81 134.17 28.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.408 ' C ' HD12 ' A' ' 73' ' ' ILE . 2.6 t -133.28 143.23 39.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.637 ' N ' HD12 ' A' ' 73' ' ' ILE . 3.9 mp -112.97 151.12 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.29 157.74 46.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.012 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -78.62 123.1 26.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.469 HG21 ' HB2' ' A' ' 58' ' ' HIS . 95.8 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.642 ' HB3' HD13 ' A' ' 44' ' ' LEU . 22.9 mt-30 -70.36 -28.43 65.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -29.37 64.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.4 mtmt -81.87 -46.47 14.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.855 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.9 OUTLIER -58.9 -38.58 79.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.716 HG12 HG21 ' A' ' 48' ' ' THR . 6.5 tp -71.46 -49.4 47.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.253 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.416 ' N ' HG23 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -53.5 -43.07 67.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -63.02 -37.11 85.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.855 HG23 ' O ' ' A' ' 12' ' ' PHE . 93.2 t -68.93 -51.08 48.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.422 HD12 ' O ' ' A' ' 13' ' ' ILE . 4.1 mt -46.68 -47.33 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -47.8 -48.58 30.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -57.32 -38.76 74.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.449 HG22 ' CD1' ' A' ' 24' ' ' LEU . 47.8 mt -68.65 -45.74 80.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -51.17 -61.08 2.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -48.51 -46.42 38.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.834 ' HB2' HD13 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -60.16 -41.88 93.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.521 HD21 HG21 ' A' ' 57' ' ' ILE . 26.6 mt -65.9 -38.22 88.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -59.89 -42.45 93.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.29 145.92 54.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.035 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.24 -56.89 2.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 29' ' ' LYS . 1.4 mt-10 -49.59 -51.5 36.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 28' ' ' GLU . 22.9 mttp -40.12 133.25 1.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.59 -35.66 3.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.21 137.95 24.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.985 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.834 HD13 ' HB2' ' A' ' 23' ' ' PHE . 15.4 tp -103.77 157.0 17.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -126.58 125.81 42.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 34' ' ' LEU . 23.4 mt -100.96 163.87 12.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.092 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.88 152.99 91.15 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 120.55 6.12 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.515 1.797 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.9 m -90.11 162.79 15.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 108.286 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.1 t -70.68 -36.65 73.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 163.64 -74.56 0.18 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.541 1.151 . . . . 0.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -42.19 -53.4 4.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 0.763 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.468 ' HG2' ' CE2' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -55.71 -54.04 49.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.8 ' HG2' HD11 ' A' ' 71' ' ' ILE . 0.5 OUTLIER -38.77 -46.06 1.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -63.7 -47.62 80.43 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.642 HD13 ' HB3' ' A' ' 9' ' ' GLN . 64.1 mt -46.63 -48.0 19.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.643 ' HA ' HD11 ' A' ' 13' ' ' ILE . 96.0 mt -56.26 -58.44 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.414 ' HH ' ' HG1' ' A' ' 61' ' ' THR . 22.8 m-85 -54.24 -62.82 1.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.948 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.492 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.7 OUTLIER -41.82 -53.04 3.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.716 HG21 HG12 ' A' ' 13' ' ' ILE . 3.7 m -57.14 -69.05 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.397 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.6 mt -46.76 -25.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.4 OUTLIER -54.38 -40.91 68.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.069 . . . . 0.0 109.993 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 44.7 p-90 -110.28 -30.55 7.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 108.004 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.544 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -64.54 -39.17 93.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.604 ' O ' HD11 ' A' ' 57' ' ' ILE . 87.6 m-85 -151.92 79.42 6.38 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -51.66 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.578 1.831 . . . . 0.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.08 114.56 21.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.73 -32.84 0.75 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.956 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.604 HD11 ' O ' ' A' ' 53' ' ' TYR . 1.4 pp -133.57 165.62 31.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.475 0.75 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.535 ' HB2' HG21 ' A' ' 76' ' ' VAL . 4.3 t60 -129.99 108.47 10.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.572 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.609 HG22 HG13 ' A' ' 73' ' ' ILE . 30.8 t -92.85 131.36 40.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.446 ' OE1' ' HB ' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -138.27 165.26 27.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.414 ' HG1' ' HH ' ' A' ' 46' ' ' TYR . 1.6 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.41 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.551 ' CE1' HG23 ' A' ' 72' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.8 HD11 ' HG2' ' A' ' 42' ' ' ARG . 33.6 mt -81.35 135.97 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.551 HG23 ' CE1' ' A' ' 70' ' ' HIS . 2.1 t -137.08 141.0 41.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.609 HG13 HG22 ' A' ' 59' ' ' VAL . 4.0 mp -112.71 157.13 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.65 161.51 35.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -83.01 124.2 30.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.582 1.176 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.535 HG21 ' HB2' ' A' ' 58' ' ' HIS . 86.9 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 55.9 83.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 0.75 . . . . 0.0 110.029 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.11 -53.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.23 -60.68 5.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.9 m -59.52 -52.56 65.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 110.022 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.6 m -48.86 -56.23 9.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.995 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.24 -21.2 63.88 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.05 -46.64 23.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.451 0.736 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.704 ' HB2' HD13 ' A' ' 44' ' ' LEU . 11.4 pt20 -76.27 -13.04 60.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 110.344 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.83 -43.34 72.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -69.5 -39.71 77.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.424 ' O ' HG23 ' A' ' 16' ' ' VAL . 7.7 t80 -64.57 -53.68 44.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 111.043 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.592 HD11 ' HA ' ' A' ' 45' ' ' ILE . 6.3 tp -57.79 -48.35 83.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -51.69 -52.52 47.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -50.32 -38.48 41.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 12' ' ' PHE . 93.8 t -67.86 -49.99 63.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' VAL . 6.8 mm -40.45 -56.31 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -42.2 -52.74 4.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -54.2 -44.79 71.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.7 mt -60.45 -56.91 14.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -44.38 -57.37 3.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.57 -52.48 46.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.636 ' HB2' HD13 ' A' ' 32' ' ' LEU . 1.0 OUTLIER -55.07 -39.97 69.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.961 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.3 mt -67.77 -38.52 83.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -58.54 -59.06 5.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 110.324 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.407 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -49.29 146.25 3.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -92.2 -59.92 1.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.319 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.6 -48.31 19.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.233 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.407 ' CG ' ' HB3' ' A' ' 26' ' ' SER . 23.7 mttt -40.31 126.21 2.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.67 -34.15 5.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 110.331 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.35 136.5 23.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.057 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.636 HD13 ' HB2' ' A' ' 23' ' ' PHE . 30.2 tp -102.8 153.46 20.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -124.28 118.82 27.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.2 mt -95.94 174.63 6.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.262 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -77.78 152.1 80.07 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 113.63 3.84 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.478 1.778 . . . . 0.0 111.013 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 53.3 m -72.96 165.2 25.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 108.3 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.412 HG22 ' H ' ' A' ' 38' ' ' THR . 1.2 t -87.39 -32.59 19.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.415 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 169.03 -78.17 0.1 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.441 1.088 . . . . 0.0 111.051 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -49.76 -62.87 1.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.755 . . . . 0.0 110.986 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.611 ' HA ' HD12 ' A' ' 44' ' ' LEU . 31.7 mt-30 -43.73 -48.43 7.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -47.61 -51.57 20.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 110.273 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -58.11 -39.8 79.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.704 HD13 ' HB2' ' A' ' 9' ' ' GLN . 46.2 mt -55.53 -60.27 3.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.592 ' HA ' HD11 ' A' ' 13' ' ' ILE . 81.9 mt -42.8 -62.34 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -52.1 -43.24 63.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 110.962 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -57.49 -53.14 61.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.458 HG23 ' HG3' ' A' ' 52' ' ' LYS . 4.3 m -59.31 -62.19 2.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.083 . . . . 0.0 110.379 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.454 HD22 ' CD2' ' A' ' 53' ' ' TYR . 50.5 mt -50.42 -22.92 2.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 1.3 t -54.46 -42.06 70.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.447 1.092 . . . . 0.0 110.023 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 38.1 p-90 -110.57 -31.7 7.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 108.002 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.568 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -60.33 -39.28 86.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.568 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 48.9 m-85 -152.69 79.42 5.89 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -48.97 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.496 1.788 . . . . 0.0 110.938 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.53 121.1 33.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 146.99 -37.14 1.18 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.556 1.16 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.663 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.2 pp -128.92 165.35 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 0.761 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.601 ' HE2' ' CD ' ' A' ' 60' ' ' GLU . 1.6 t60 -128.52 111.78 13.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.586 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.5 t -88.85 132.13 34.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.601 ' CD ' ' HE2' ' A' ' 58' ' ' HIS . 6.1 pt-20 -142.75 149.39 38.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.464 ' CG2' ' HG2' ' A' ' 69' ' ' ARG . 1.5 m -106.1 104.92 14.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 110.404 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.588 HD12 HG21 ' A' ' 72' ' ' VAL . 10.0 mt -101.79 142.15 33.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -123.83 132.55 53.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.351 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.448 ' OG1' ' CB ' ' A' ' 67' ' ' LYS . 29.8 p -124.65 -148.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.376 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.07 -62.02 1.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.72 -37.12 11.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.448 ' CB ' ' OG1' ' A' ' 64' ' ' THR . 0.9 OUTLIER -67.48 -26.79 66.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 45.21 -168.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 110.327 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.464 ' HG2' ' CG2' ' A' ' 61' ' ' THR . 0.0 OUTLIER -62.79 105.75 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.43 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER -131.34 145.26 51.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.586 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 65.1 mt -69.9 138.32 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.588 HG21 HD12 ' A' ' 62' ' ' LEU . 3.0 t -138.21 134.47 44.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.6 mp -108.44 155.19 9.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.75 162.37 33.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.979 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.564 ' HE3' ' CE1' ' A' ' 23' ' ' PHE . 0.6 OUTLIER -84.6 122.02 28.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.459 HG12 ' N ' ' A' ' 77' ' ' ASP . 95.3 t -122.77 163.25 21.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.459 ' N ' HG12 ' A' ' 76' ' ' VAL . 27.4 t70 -133.07 158.53 42.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.65 -54.8 7.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -47.9 -60.23 2.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.5 -60.45 1.11 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.125 . . . . 0.0 110.256 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.15 129.47 27.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 34.6 t -64.63 -49.03 72.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 145.22 -144.91 13.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.456 1.097 . . . . 0.0 111.034 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 139.19 23.95 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.5 m -69.23 -60.52 2.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.962 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.55 -61.76 0.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.995 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.8 m -144.52 96.61 2.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 0.786 . . . . 0.0 110.026 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 m -124.08 138.86 54.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.996 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.97 -66.19 1.41 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 8' ' ' ASP . 73.5 m -63.93 -59.46 4.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.437 0.728 . . . . 0.0 109.978 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -42.22 -58.07 2.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.022 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.18 -31.14 61.79 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.528 1.142 . . . . 0.0 111.034 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 5' ' ' SER . 0.9 OUTLIER -67.62 -56.48 9.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 0.801 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.625 ' CB ' HD13 ' A' ' 44' ' ' LEU . 7.5 pt20 -65.3 -23.79 67.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.41 -43.43 83.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -66.78 -44.44 81.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.588 ' CD1' ' OE1' ' A' ' 41' ' ' GLN . 12.5 t80 -62.86 -56.33 18.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.606 HD11 ' HA ' ' A' ' 45' ' ' ILE . 4.9 tp -55.51 -54.18 28.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.498 ' N ' HG23 ' A' ' 13' ' ' ILE . 48.1 t0 -45.2 -54.12 7.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -49.17 -40.33 32.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 19' ' ' LYS . 90.1 t -68.1 -48.48 74.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.9 mm -41.5 -45.13 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -52.96 -44.24 66.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 16' ' ' VAL . 53.4 mttm -59.24 -47.97 83.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.438 HG22 ' CD1' ' A' ' 24' ' ' LEU . 5.7 mt -59.98 -59.92 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -45.22 -60.23 2.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -51.28 -49.86 60.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.546 ' CB ' HD22 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -56.3 -38.39 71.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 111.049 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.438 ' CD1' HG22 ' A' ' 20' ' ' ILE . 23.4 mt -70.1 -37.97 75.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -58.34 -47.95 82.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.428 ' CB ' ' HD2' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -61.31 145.62 50.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.023 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -92.42 -58.71 2.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -47.0 -40.07 13.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.428 ' HD2' ' CB ' ' A' ' 26' ' ' SER . 16.9 mttm -53.34 126.93 22.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.56 -34.2 4.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.98 129.75 17.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.954 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.546 HD22 ' CB ' ' A' ' 23' ' ' PHE . 30.9 tp -97.2 152.4 18.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -124.99 123.41 39.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 34' ' ' LEU . 20.4 mt -98.49 175.99 5.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -88.96 151.9 47.71 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 121.23 6.44 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.517 1.798 . . . . 0.0 111.041 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.2 m -87.08 178.31 6.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 108.329 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.0 p -84.7 -23.37 29.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.438 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 148.07 -66.9 0.39 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -43.17 -63.6 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 0.793 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.588 ' OE1' ' CD1' ' A' ' 12' ' ' PHE . 29.3 mm-40 -50.86 -45.54 59.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -44.49 -47.6 10.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -35.36 79.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.625 HD13 ' CB ' ' A' ' 9' ' ' GLN . 38.2 mt -61.33 -42.89 99.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.606 ' HA ' HD11 ' A' ' 13' ' ' ILE . 88.3 mt -60.6 -49.97 82.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -60.81 -49.9 75.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.5 ' O ' ' CB ' ' A' ' 50' ' ' SER . 1.4 mm-40 -49.59 -53.45 23.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.55 HG23 ' HG3' ' A' ' 52' ' ' LYS . 2.9 m -58.22 -66.49 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.392 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 78.5 mt -48.2 -24.37 1.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.9 OUTLIER -52.9 -43.19 66.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.01 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.569 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 51.2 p-90 -110.53 -31.94 7.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 108.026 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.569 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -58.77 -53.31 59.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.576 ' O ' HD11 ' A' ' 57' ' ' ILE . 88.0 m-85 -139.94 75.93 29.1 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -43.36 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.772 . . . . 0.0 111.019 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.17 120.38 24.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 147.06 -34.47 1.31 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.598 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.3 pp -129.23 164.51 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.758 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.533 ' HE2' ' CD ' ' A' ' 60' ' ' GLU . 2.2 t60 -125.91 112.42 15.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.619 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.8 t -94.39 133.96 33.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.533 ' CD ' ' HE2' ' A' ' 58' ' ' HIS . 4.1 pt-20 -143.31 146.0 33.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.3 m -102.18 106.04 16.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.45 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.489 HD12 HG21 ' A' ' 72' ' ' VAL . 12.6 mt -103.35 142.38 34.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -124.4 129.85 51.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.344 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.518 ' OG1' ' CB ' ' A' ' 67' ' ' LYS . 32.8 p -120.22 -146.09 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.369 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -92.54 -63.07 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -92.24 -40.32 11.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.518 ' CB ' ' OG1' ' A' ' 64' ' ' THR . 0.0 OUTLIER -58.3 -46.79 85.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 65.5 174.8 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -50.85 97.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.273 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.445 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER -123.26 144.07 49.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.602 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 13.7 mt -70.42 133.55 31.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.489 HG21 HD12 ' A' ' 62' ' ' LEU . 3.0 t -130.59 136.94 57.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 73' ' ' ILE . 4.3 mp -111.74 153.24 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.8 161.24 36.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.99 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -83.52 124.89 31.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.523 HG21 ' HB2' ' A' ' 58' ' ' HIS . 92.9 t -126.42 164.16 27.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.48 ' N ' HG12 ' A' ' 76' ' ' VAL . 3.0 t70 -141.64 151.57 43.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.3 -66.87 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.92 -55.65 3.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -38.9 -57.85 1.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.1 mtp85 -54.32 143.65 22.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 46.6 t -98.72 -45.16 6.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.032 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -59.71 -122.17 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 81.0 2.29 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.2 t -80.15 -58.06 3.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.002 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.4 p -48.56 -58.42 4.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 t 44.68 92.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 0.765 . . . . 0.0 109.993 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 m -104.33 79.82 1.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 0.0 110.008 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.92 -64.02 1.15 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 8' ' ' ASP . 1.2 m -40.92 -66.68 0.3 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 0.761 . . . . 0.0 109.966 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -40.66 -52.1 2.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.993 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.53 -41.18 25.24 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.423 1.077 . . . . 0.0 111.036 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 5' ' ' SER . 8.8 t0 -56.82 -42.78 80.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 0.729 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -80.51 -14.0 58.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.82 -47.81 10.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -35.39 80.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -68.87 -55.21 11.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.619 HD11 ' HA ' ' A' ' 45' ' ' ILE . 4.9 tp -56.7 -48.37 80.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -51.03 -54.45 24.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -48.02 -40.68 23.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.498 HG12 HD11 ' A' ' 20' ' ' ILE . 93.8 t -65.88 -50.02 73.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.547 ' HA ' HD12 ' A' ' 20' ' ' ILE . 7.2 mm -40.18 -52.99 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -50.31 -53.03 31.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -52.6 -38.74 60.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 17' ' ' ILE . 11.5 mt -68.09 -62.74 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -42.63 -57.77 2.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.08 -52.59 50.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.482 ' CB ' HD22 ' A' ' 32' ' ' LEU . 1.4 t80 -54.83 -38.91 67.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.594 HD21 HG21 ' A' ' 57' ' ' ILE . 24.1 mt -69.98 -38.75 76.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -59.41 -43.08 93.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.411 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -62.39 146.26 51.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.591 1.182 . . . . 0.0 110.026 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -92.28 -63.64 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 29' ' ' LYS . 1.4 tm-20 -43.38 -48.02 6.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.268 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.411 ' CG ' ' HB3' ' A' ' 26' ' ' SER . 18.2 mttp -40.52 131.22 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.94 -36.72 3.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.99 136.62 24.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.482 HD22 ' CB ' ' A' ' 23' ' ' PHE . 32.9 tp -103.5 151.39 22.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -124.41 119.0 27.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.286 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.45 HD12 HD11 ' A' ' 73' ' ' ILE . 32.3 mt -97.22 174.03 6.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -73.22 147.0 87.56 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 104.65 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.463 1.77 . . . . 0.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.1 m -63.86 167.79 5.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 108.307 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.6 t -94.25 -14.1 25.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.39 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 152.41 -73.15 0.27 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -57.94 -61.31 2.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 0.733 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.847 ' HA ' HD12 ' A' ' 44' ' ' LEU . 30.6 mm100 -44.77 -29.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.971 ' HG3' HD11 ' A' ' 71' ' ' ILE . 1.4 tpp85 -67.7 -52.19 40.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -58.33 -28.11 64.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.847 HD12 ' HA ' ' A' ' 41' ' ' GLN . 58.1 mt -65.34 -52.18 55.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.619 ' HA ' HD11 ' A' ' 13' ' ' ILE . 94.8 mt -54.96 -52.47 43.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -56.83 -49.06 76.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.5 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -52.7 -53.37 48.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.408 HG21 HG12 ' A' ' 13' ' ' ILE . 17.0 m -58.59 -61.83 2.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 110.36 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.469 HD21 HD13 ' A' ' 20' ' ' ILE . 81.2 mt -52.85 -21.17 3.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 1.0 OUTLIER -56.14 -40.92 74.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.979 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 36.1 p-90 -110.85 -32.02 6.98 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.565 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -61.61 -29.79 70.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.358 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.565 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 66.4 m-85 -160.22 83.21 2.16 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -41.09 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.23 112.04 7.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 163.1 -36.75 0.33 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.652 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.2 pp -127.66 166.12 25.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 0.778 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.544 ' HE2' ' CD ' ' A' ' 60' ' ' GLU . 1.7 t60 -128.76 114.59 16.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.613 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.0 t -93.32 136.18 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.544 ' CD ' ' HE2' ' A' ' 58' ' ' HIS . 4.4 pt-20 -144.57 146.01 32.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.1 m -101.42 104.97 15.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.371 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.713 HD12 HG21 ' A' ' 72' ' ' VAL . 18.8 mt -100.64 141.18 33.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.41 1.069 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -124.11 128.45 49.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.282 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.519 ' OG1' ' CB ' ' A' ' 67' ' ' LYS . 29.9 p -122.41 -147.32 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.386 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -92.53 -62.62 1.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.8 ptpt -91.74 -40.93 10.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.519 ' CB ' ' OG1' ' A' ' 64' ' ' THR . 0.0 OUTLIER -58.24 -48.51 80.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 64.41 173.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 110.261 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 76.1 mtm180 -46.46 101.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.442 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER -129.24 144.31 51.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.619 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.971 HD11 ' HG3' ' A' ' 42' ' ' ARG . 30.4 mt -70.97 136.5 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.713 HG21 HD12 ' A' ' 62' ' ' LEU . 4.1 t -134.19 136.5 53.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.45 HD11 HD12 ' A' ' 34' ' ' LEU . 4.1 mp -110.39 152.48 12.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.74 161.46 35.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.025 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -80.97 125.42 30.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.477 HG12 ' N ' ' A' ' 77' ' ' ASP . 90.6 t -124.83 163.84 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.477 ' N ' HG12 ' A' ' 76' ' ' VAL . 47.7 t0 -139.07 154.7 48.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.61 -53.62 49.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.335 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.34 -30.7 68.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.49 -62.97 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -58.84 142.96 48.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 95.8 p -82.8 -47.07 12.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.088 . . . . 0.0 110.008 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 68.17 157.33 0.98 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -179.44 4.99 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.464 1.771 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.1 m -83.5 -56.62 3.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.009 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 m -82.35 -56.77 3.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.975 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.137 . . . . 0.0 110.983 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.7 p -62.62 129.92 42.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.966 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.64 126.78 29.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.73 -66.51 0.98 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.85 -65.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.773 . . . . 0.0 110.017 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 8' ' ' ASP . 0.3 OUTLIER -46.7 -49.01 20.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.972 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.0 -31.31 0.09 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.472 1.108 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 6' ' ' SER . 19.1 m-20 -62.12 -63.67 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 109.317 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.72 ' HB2' HD13 ' A' ' 44' ' ' LEU . 9.0 pt20 -68.38 -32.28 72.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.259 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -41.99 61.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -70.25 -39.99 74.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -64.59 -54.96 23.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.571 HD11 ' HA ' ' A' ' 45' ' ' ILE . 7.9 tp -55.72 -50.34 68.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.427 ' N ' HG23 ' A' ' 13' ' ' ILE . 0.6 OUTLIER -49.36 -55.67 12.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -46.75 -40.66 13.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.426 HG12 ' CD1' ' A' ' 20' ' ' ILE . 99.1 t -67.32 -48.6 77.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.1 mm -40.85 -49.58 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -52.75 -53.76 43.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -51.29 -41.76 60.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.616 HG22 ' CD1' ' A' ' 24' ' ' LEU . 7.7 mt -64.39 -58.99 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 20' ' ' ILE . 6.0 mm-40 -35.86 -64.92 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.423 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 3.8 t0 -46.85 -59.25 3.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.539 ' CE2' HG22 ' A' ' 73' ' ' ILE . 2.4 t80 -48.88 -22.02 0.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.14 . . . . 0.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.616 ' CD1' HG22 ' A' ' 20' ' ' ILE . 23.1 mt -93.43 -32.74 14.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 22' ' ' ASP . 4.6 pt20 -77.47 -12.18 59.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.05 150.59 20.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.991 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.18 -66.67 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -42.53 -51.47 5.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -41.21 125.57 2.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.2 -35.32 4.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.14 126.58 14.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.021 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.514 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 31.6 tp -93.05 149.37 21.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -126.02 117.79 23.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 25.9 mt -94.08 177.32 6.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -83.57 153.18 64.78 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 119.11 5.5 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.494 1.786 . . . . 0.0 111.029 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 58.8 m -88.99 170.77 10.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 108.304 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.1 p -74.82 -51.95 12.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.422 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 176.17 -55.99 0.11 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.555 1.159 . . . . 0.0 110.959 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -54.72 -62.47 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 0.778 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.657 ' HA ' HD12 ' A' ' 44' ' ' LEU . 30.9 mm100 -49.26 -48.24 46.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.761 ' HG3' HD11 ' A' ' 71' ' ' ILE . 30.8 ttp85 -46.78 -46.83 20.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -62.4 -36.78 83.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.72 HD13 ' HB2' ' A' ' 9' ' ' GLN . 44.5 mt -59.26 -52.01 67.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.571 ' HA ' HD11 ' A' ' 13' ' ' ILE . 96.6 mt -51.27 -52.18 20.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -63.65 -34.99 79.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.78 -38.59 86.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.323 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.404 ' C ' ' N ' ' A' ' 50' ' ' SER . 3.3 m -76.4 -65.7 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 110.416 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.1 mt -49.22 -23.75 1.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.404 ' N ' ' C ' ' A' ' 48' ' ' THR . 0.1 OUTLIER -54.3 -41.32 68.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.982 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.43 ' CZ3' ' CG ' ' A' ' 52' ' ' LYS . 47.5 p-90 -110.75 -31.87 7.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 108.006 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.562 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -59.16 -37.24 76.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.103 . . . . 0.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.562 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 66.1 m-85 -155.05 80.8 4.29 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -52.07 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.535 1.808 . . . . 0.0 110.971 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.82 110.36 15.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.47 -35.61 0.43 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.12 . . . . 0.0 111.038 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.622 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.2 pp -131.16 164.94 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.764 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.508 ' HB2' HG21 ' A' ' 76' ' ' VAL . 2.7 t60 -126.47 112.85 16.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.558 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.2 t -92.59 134.72 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.468 ' HB3' ' HE2' ' A' ' 58' ' ' HIS . 1.6 pt-20 -144.68 145.17 31.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.253 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.8 m -102.01 103.86 14.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.404 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.958 HD12 HG21 ' A' ' 72' ' ' VAL . 14.4 mt -89.62 149.88 22.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.743 ' O ' HG23 ' A' ' 64' ' ' THR . 1.7 tt0 -105.2 147.44 28.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.353 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.743 HG23 ' O ' ' A' ' 63' ' ' GLU . 1.4 p -160.99 149.93 16.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.394 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.4 -11.75 59.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.2 pttt -95.97 -38.2 10.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -101.25 -63.59 1.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.256 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.51 ' CB ' ' O ' ' A' ' 67' ' ' LYS . 1.2 mt-10 87.03 93.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 52.62 82.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.413 ' NE2' ' CG2' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -118.62 146.63 44.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.567 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.761 HD11 ' HG3' ' A' ' 42' ' ' ARG . 45.6 mt -77.19 138.61 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.958 HG21 HD12 ' A' ' 62' ' ' LEU . 2.6 t -137.34 137.16 46.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.539 HG22 ' CE2' ' A' ' 23' ' ' PHE . 4.0 mp -108.74 153.22 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.8 159.81 40.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.98 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.439 ' CE ' ' O ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -85.06 123.47 30.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.508 HG21 ' HB2' ' A' ' 58' ' ' HIS . 85.0 t -122.65 163.94 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.48 ' N ' HG12 ' A' ' 76' ' ' VAL . 26.3 t0 -135.88 150.18 49.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -58.32 -59.24 5.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -44.45 -53.39 6.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.99 -66.14 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.287 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.33 144.94 19.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.346 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.35 -46.37 10.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 109.981 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -54.83 110.0 1.49 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.557 1.161 . . . . 0.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.88 13.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.533 1.807 . . . . 0.0 111.031 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.0 t -88.79 -58.25 2.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.97 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.7 m -52.95 -60.84 2.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.977 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.531 1.144 . . . . 0.0 111.021 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m 42.61 91.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 110.0 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.3 m -140.62 -53.73 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.69 -67.07 1.14 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 t -40.58 -40.27 1.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 0.774 . . . . 0.0 110.027 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 p -73.49 -53.5 10.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.058 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.18 -38.18 0.8 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.66 -62.69 1.61 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 0.757 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.49 ' OE1' HD22 ' A' ' 44' ' ' LEU . 14.1 pt20 -68.02 -22.2 64.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -44.34 84.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -67.87 -43.59 79.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -62.69 -55.8 23.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.664 HD11 ' HA ' ' A' ' 45' ' ' ILE . 4.9 tp -54.98 -48.67 75.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -51.69 -55.11 21.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -46.62 -38.89 10.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.1 t -69.12 -46.95 77.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.2 mm -43.04 -52.71 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -48.02 -53.96 14.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.265 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -49.47 -44.7 46.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.639 HG22 ' CD1' ' A' ' 24' ' ' LEU . 35.9 mt -64.71 -61.06 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -38.51 -57.18 1.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.32 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -52.14 -52.52 51.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.629 ' HE2' HG22 ' A' ' 73' ' ' ILE . 2.6 t80 -58.46 -26.3 63.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.639 ' CD1' HG22 ' A' ' 20' ' ' ILE . 38.7 mt -85.26 -14.41 46.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -95.18 -15.58 23.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.27 117.63 23.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.999 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -69.7 -36.27 75.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 110.245 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.18 -55.02 7.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.123 . . . . 0.0 110.256 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -47.15 131.39 12.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -113.1 -26.68 8.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 110.275 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.26 158.6 43.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.542 ' O ' HG13 ' A' ' 72' ' ' VAL . 40.4 tp -122.04 161.82 22.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -132.88 118.44 18.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 34' ' ' LEU . 22.9 mt -97.07 163.87 12.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.94 149.19 92.39 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 99.81 1.29 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.424 1.749 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 58.7 m -65.52 -179.05 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 108.301 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 43.4 p -88.75 -51.37 5.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.392 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -178.8 -61.66 0.07 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.531 1.145 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.468 ' O ' ' CG ' ' A' ' 43' ' ' LYS . 24.0 t80 -58.7 -64.31 0.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 0.733 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.697 ' HA ' HD12 ' A' ' 44' ' ' LEU . 35.7 mt-30 -48.2 -28.02 2.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.436 ' CG ' HD11 ' A' ' 71' ' ' ILE . 15.8 ttp180 -65.35 -50.2 66.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 40' ' ' PHE . 5.5 ptpt -60.55 -29.01 68.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' ' 41' ' ' GLN . 49.3 mt -65.5 -47.59 75.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.664 ' HA ' HD11 ' A' ' 13' ' ' ILE . 96.6 mt -56.53 -48.16 80.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -64.15 -53.8 43.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.969 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.505 ' O ' ' CB ' ' A' ' 50' ' ' SER . 2.1 mt-30 -49.38 -52.01 31.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.346 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.473 HG21 HG12 ' A' ' 13' ' ' ILE . 10.3 m -57.12 -67.37 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.397 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.428 HD21 ' CD1' ' A' ' 20' ' ' ILE . 82.1 mt -48.72 -24.11 1.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.5 OUTLIER -54.22 -41.08 68.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.994 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.403 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 41.9 p-90 -110.64 -31.87 7.08 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.575 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -61.38 -33.99 74.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.575 ' CD1' ' HB3' ' A' ' 52' ' ' LYS . 80.5 m-85 -154.91 81.01 4.31 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -37.61 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.486 1.782 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -137.56 117.53 13.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 152.4 -36.34 0.81 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.118 . . . . 0.0 111.007 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.704 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.1 pp -130.79 164.09 34.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.361 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.534 ' HB2' HG21 ' A' ' 76' ' ' VAL . 4.6 t-80 -130.42 104.84 7.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.557 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.0 t -77.0 124.8 36.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.35 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -132.77 149.34 52.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.4 m -107.34 106.16 16.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.354 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.901 HD12 HG21 ' A' ' 72' ' ' VAL . 7.0 mt -101.52 142.47 32.83 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -124.32 131.38 53.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.438 ' OG1' ' N ' ' A' ' 65' ' ' ASP . 2.9 p -129.54 -141.67 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.403 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.438 ' N ' ' OG1' ' A' ' 64' ' ' THR . 1.6 t0 -92.75 -63.38 1.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -93.04 -39.29 11.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.82 -46.79 88.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 70' ' ' HIS . 2.4 mt-10 56.28 -179.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.345 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.07 93.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.459 ' NE2' ' CG2' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -121.67 147.01 46.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.61 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.436 HD11 ' CG ' ' A' ' 42' ' ' ARG . 39.1 mt -76.94 142.73 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.901 HG21 HD12 ' A' ' 62' ' ' LEU . 9.1 t -138.38 137.85 43.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.763 ' N ' HD12 ' A' ' 73' ' ' ILE . 2.2 mp -111.58 113.34 43.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.3 t -97.77 153.06 18.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.997 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.465 ' HG3' ' CZ ' ' A' ' 23' ' ' PHE . 10.8 mtpt -76.73 129.85 36.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.534 HG21 ' HB2' ' A' ' 58' ' ' HIS . 52.6 t -129.16 148.38 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.353 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -131.65 148.24 52.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -62.72 1.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -41.87 -60.42 1.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -49.7 -66.66 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.38 110.79 22.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.241 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.12 -47.23 7.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.987 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 98.78 -147.56 18.55 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.56 1.163 . . . . 0.0 110.96 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 121.55 6.68 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.48 1.779 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 99.0 p -54.24 -21.03 8.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.008 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 74.0 m -77.8 -65.99 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.9 m 50.51 91.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 110.062 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 t -151.4 160.33 43.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 110.011 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.45 -51.34 59.29 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -44.56 -48.03 10.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 0.763 . . . . 0.0 110.008 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t -70.47 -34.99 73.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.947 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.26 -45.35 95.52 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -53.75 -42.9 68.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.568 ' HB3' HD13 ' A' ' 44' ' ' LEU . 19.7 mm-40 -77.0 -29.29 55.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.472 ' O ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -60.25 -46.36 90.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.86 -48.01 78.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.562 ' CD1' ' OE1' ' A' ' 41' ' ' GLN . 26.5 t80 -57.49 -61.95 2.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 111.042 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.625 HD11 ' HA ' ' A' ' 45' ' ' ILE . 5.1 tp -48.07 -43.33 11.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.4 -53.25 59.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -50.53 -23.45 2.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 12' ' ' PHE . 89.5 t -84.52 -43.52 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.437 ' HA ' HD12 ' A' ' 20' ' ' ILE . 7.3 mm -47.58 -58.43 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -43.0 -52.91 5.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -52.62 -42.07 64.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.506 HG22 ' CD1' ' A' ' 24' ' ' LEU . 16.5 mt -66.21 -62.8 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -42.96 -49.12 6.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.277 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -56.82 -48.7 77.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.518 ' CG ' ' HB2' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -61.32 -38.64 87.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.506 ' CD1' HG22 ' A' ' 20' ' ' ILE . 21.4 mt -72.67 -21.72 61.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -75.28 -43.41 51.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.0 149.73 46.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.969 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -92.07 -58.16 2.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -47.72 -53.15 15.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -40.91 135.97 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.24 -39.9 3.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -146.3 137.96 24.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.984 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.518 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 15.7 tp -103.36 155.94 18.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -131.46 118.28 19.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.241 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 28.4 mt -89.13 175.73 7.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -81.9 154.69 70.43 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 115.08 4.18 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.525 1.803 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 63.4 m -80.99 167.87 19.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 108.293 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.2 p -75.84 -36.21 59.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.371 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 162.41 -64.63 0.26 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -48.29 -62.93 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.776 ' HA ' HD12 ' A' ' 44' ' ' LEU . 17.1 mm-40 -51.79 -35.58 44.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.474 ' HG2' ' CE2' ' A' ' 46' ' ' TYR . 29.1 ttp180 -53.71 -47.73 70.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.442 ' HG2' ' N ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -67.87 -29.38 68.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.776 HD12 ' HA ' ' A' ' 41' ' ' GLN . 70.4 mt -65.38 -51.61 59.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.625 ' HA ' HD11 ' A' ' 13' ' ' ILE . 95.5 mt -53.3 -47.05 57.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.474 ' CE2' ' HG2' ' A' ' 42' ' ' ARG . 20.7 m-85 -63.91 -55.02 25.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -48.28 -53.17 18.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.495 HG21 HG12 ' A' ' 13' ' ' ILE . 29.9 m -56.59 -67.24 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.418 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.482 HD21 HD13 ' A' ' 20' ' ' ILE . 70.5 mt -48.7 -24.33 1.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.5 OUTLIER -54.83 -39.61 68.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.968 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.41 ' CZ3' ' HG3' ' A' ' 52' ' ' LYS . 42.8 p-90 -110.78 -32.01 7.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 108.018 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.576 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -61.95 -34.24 75.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.576 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 75.2 m-85 -155.56 81.23 3.98 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -45.61 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.64 120.42 25.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 148.95 -34.3 1.12 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.597 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.4 pp -131.66 167.53 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.536 ' HB2' HG21 ' A' ' 76' ' ' VAL . 3.7 t-80 -131.27 104.34 6.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.599 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.5 t -78.53 112.91 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.489 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 0.3 OUTLIER -114.36 150.46 34.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.257 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.596 HG22 ' HG3' ' A' ' 69' ' ' ARG . 73.0 m -115.68 104.85 12.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.393 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.566 ' HB2' ' CE1' ' A' ' 70' ' ' HIS . 19.8 mt -100.92 151.36 21.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -124.31 127.77 48.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.26 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.697 HG23 ' CE1' ' A' ' 70' ' ' HIS . 30.1 p -110.28 -148.09 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.409 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -92.72 -64.58 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -97.25 -37.51 10.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.424 ' CB ' ' OG1' ' A' ' 64' ' ' THR . 7.9 mttt -60.39 -31.74 70.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 53.62 -164.25 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.596 ' HG3' HG22 ' A' ' 61' ' ' THR . 0.1 OUTLIER -50.66 110.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.272 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.697 ' CE1' HG23 ' A' ' 64' ' ' THR . 16.7 p-80 -128.26 128.5 44.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.571 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 89.6 mt -70.47 136.11 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.487 ' C ' HD12 ' A' ' 73' ' ' ILE . 19.4 t -131.61 139.28 51.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.663 ' N ' HD12 ' A' ' 73' ' ' ILE . 3.5 mp -112.38 121.24 64.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.4 t -109.03 150.13 28.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.97 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -73.34 129.07 37.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.536 HG21 ' HB2' ' A' ' 58' ' ' HIS . 96.9 t -127.02 163.94 28.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.472 ' N ' HG12 ' A' ' 76' ' ' VAL . 38.8 t70 -147.15 150.27 34.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -66.64 -54.38 23.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -66.78 -70.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.349 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -42.42 -60.87 1.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.2 117.25 30.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.1 t -106.73 -48.21 3.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 117.76 128.56 4.0 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.544 1.153 . . . . 0.0 110.983 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 147.56 33.96 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.565 1.824 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.2 m -93.11 -40.13 10.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.02 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.2 -38.46 43.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.078 . . . . 0.0 110.047 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.934 0 O-C-N 124.453 1.095 . . . . 0.0 111.013 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.83 -58.83 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 0.739 . . . . 0.0 109.975 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.99 -63.17 1.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.991 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -39.07 -59.04 1.83 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.73 -66.78 0.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.748 . . . . 0.0 109.975 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.34 -55.56 1.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.988 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.14 -52.66 3.4 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.58 -50.51 17.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.76 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -68.56 -42.3 78.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -32.64 62.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -72.45 -60.23 2.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.572 ' CE2' ' HG2' ' A' ' 41' ' ' GLN . 7.6 t80 -49.62 -53.39 24.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.628 HD11 ' HA ' ' A' ' 45' ' ' ILE . 5.6 tp -55.36 -51.57 55.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.448 ' N ' HG23 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -49.43 -55.86 11.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -45.79 -40.59 9.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 19' ' ' LYS . 92.7 t -68.27 -49.06 70.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.6 mm -40.87 -42.17 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -58.79 -47.35 85.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 16' ' ' VAL . 8.0 mttm -55.91 -39.7 71.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.723 HG22 ' CD1' ' A' ' 24' ' ' LEU . 18.5 mt -70.51 -62.56 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 20' ' ' ILE . 8.1 mm-40 -38.25 -57.73 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.89 -51.82 62.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.517 ' CG ' ' HB2' ' A' ' 32' ' ' LEU . 2.4 t80 -57.09 -27.01 61.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.723 ' CD1' HG22 ' A' ' 20' ' ' ILE . 17.1 mt -86.0 -15.95 39.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -81.26 -35.41 31.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.78 145.2 47.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.981 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.6 -36.04 13.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.26 -48.83 66.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -49.77 129.34 19.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -115.49 -33.85 5.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.339 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.18 129.21 16.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.517 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 32.4 tp -96.55 162.09 13.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -129.08 114.3 16.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 34' ' ' LEU . 18.9 mt -88.71 161.49 16.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -72.97 151.4 90.65 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 109.67 2.97 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.484 1.781 . . . . 0.0 111.049 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 95.0 m -74.18 168.09 20.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 108.272 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.1 p -79.07 -44.84 21.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.38 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -179.43 -62.77 0.07 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.549 1.155 . . . . 0.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.421 ' O ' ' CG ' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -57.19 -66.04 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 0.74 . . . . 0.0 110.976 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.914 ' HA ' HD12 ' A' ' 44' ' ' LEU . 6.2 mp0 -42.42 -43.11 3.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.323 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.74 -51.7 59.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -66.93 -28.96 68.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.914 HD12 ' HA ' ' A' ' 41' ' ' GLN . 67.5 mt -65.07 -53.94 37.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.628 ' HA ' HD11 ' A' ' 13' ' ' ILE . 97.2 mt -50.37 -52.44 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -59.47 -49.87 76.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.435 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.2 OUTLIER -49.85 -52.44 32.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.268 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.427 HG23 ' HG3' ' A' ' 52' ' ' LYS . 3.5 m -61.07 -64.24 1.02 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 110.344 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.534 HD21 HD13 ' A' ' 20' ' ' ILE . 86.6 mt -48.41 -24.24 1.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.4 OUTLIER -54.21 -40.96 68.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 109.98 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.45 ' CZ3' ' CG ' ' A' ' 52' ' ' LYS . 46.1 p-90 -110.99 -32.03 6.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 108.014 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.569 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -57.84 -42.12 83.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.569 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 79.7 m-85 -151.96 79.85 6.22 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -43.04 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.499 1.789 . . . . 0.0 111.004 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.83 108.8 10.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.08 -33.49 0.43 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.468 1.105 . . . . 0.0 110.962 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.609 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.5 pp -133.79 164.07 35.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 0.79 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.444 ' N ' HG23 ' A' ' 76' ' ' VAL . 12.0 t60 -128.28 102.09 6.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.563 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.51 ' CG1' HG23 ' A' ' 71' ' ' ILE . 39.2 t -78.36 111.73 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.419 ' HB3' ' NE2' ' A' ' 58' ' ' HIS . 17.4 pt-20 -114.54 154.17 28.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.404 ' CG2' ' HG3' ' A' ' 69' ' ' ARG . 6.1 m -108.63 105.63 15.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.39 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.923 HD12 HG21 ' A' ' 72' ' ' VAL . 33.6 mt -97.88 142.26 29.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -123.52 130.88 53.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.505 ' OG1' ' CB ' ' A' ' 67' ' ' LYS . 30.2 p -129.0 -147.64 0.35 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 110.376 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.81 -63.17 1.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.0 pttt -89.41 -41.56 12.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.351 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.505 ' CB ' ' OG1' ' A' ' 64' ' ' THR . 0.0 OUTLIER -59.29 -58.88 6.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 70' ' ' HIS . 0.1 OUTLIER 71.44 -174.17 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.404 ' HG3' ' CG2' ' A' ' 61' ' ' THR . 0.0 OUTLIER -49.58 92.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.343 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.523 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -119.64 145.93 46.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.597 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.51 HG23 ' CG1' ' A' ' 59' ' ' VAL . 94.9 mt -76.65 143.34 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.264 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.923 HG21 HD12 ' A' ' 62' ' ' LEU . 3.0 t -138.42 130.38 38.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.79 ' N ' HD12 ' A' ' 73' ' ' ILE . 2.1 mp -102.29 111.98 33.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.9 m -110.99 131.51 54.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -53.56 142.86 21.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.465 HG12 ' N ' ' A' ' 77' ' ' ASP . 91.2 t -123.84 163.58 23.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.465 ' N ' HG12 ' A' ' 76' ' ' VAL . 17.3 t0 -147.94 162.85 38.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.17 -35.33 20.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.349 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -65.21 -25.77 67.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -58.71 -58.45 8.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.55 110.99 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 61.6 p -69.87 -38.12 76.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -88.73 178.98 45.73 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.128 . . . . 0.0 111.037 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 157.42 42.58 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.491 1.785 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.1 t -83.25 -60.2 2.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.009 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.64 -56.49 20.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 m -125.46 117.99 24.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.764 . . . . 0.0 109.987 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.3 t -156.83 112.96 2.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.955 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.54 -58.62 4.12 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.522 1.139 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.5 m -41.19 -67.73 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 110.033 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -58.24 -48.47 80.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.998 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.92 -34.49 0.29 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.449 1.093 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -56.04 -64.99 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.755 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.707 ' HB2' HD13 ' A' ' 44' ' ' LEU . 10.5 pt20 -69.9 -27.02 64.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -53.32 -42.08 66.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -68.5 -39.17 81.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.406 ' CZ ' ' HB3' ' A' ' 41' ' ' GLN . 9.9 t80 -65.7 -55.64 16.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.546 HD11 ' HA ' ' A' ' 45' ' ' ILE . 6.6 tp -55.93 -49.34 75.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.405 ' N ' HG23 ' A' ' 13' ' ' ILE . 11.4 t70 -50.4 -54.78 19.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -47.5 -40.39 18.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.548 HG13 HD21 ' A' ' 34' ' ' LEU . 98.4 t -67.09 -49.6 71.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.532 ' HA ' HD12 ' A' ' 20' ' ' ILE . 7.5 mm -40.68 -49.17 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -52.28 -51.02 60.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -55.51 -38.47 69.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.632 HG22 ' CD1' ' A' ' 24' ' ' LEU . 10.3 mt -66.93 -58.73 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 20' ' ' ILE . 1.2 mt-10 -36.28 -64.83 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 25' ' ' GLN . 10.1 t0 -46.51 -58.98 3.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.807 ' HB2' HD13 ' A' ' 32' ' ' LEU . 1.2 t80 -49.39 -22.17 1.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.632 ' CD1' HG22 ' A' ' 20' ' ' ILE . 23.1 mt -93.65 -28.39 16.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 22' ' ' ASP . 4.4 pt20 -83.5 -13.55 54.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -90.42 140.76 29.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.995 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.6 pt-20 -88.81 -37.83 15.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 29' ' ' LYS . 4.0 mt-10 -67.23 -54.84 17.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 28' ' ' GLU . 26.4 mttt -40.16 127.18 2.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -116.39 -33.16 5.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 110.34 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.32 123.34 11.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.993 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.807 HD13 ' HB2' ' A' ' 23' ' ' PHE . 20.5 tp -88.79 147.17 24.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.071 . . . . 0.0 109.354 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -124.42 117.22 23.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.548 HD21 HG13 ' A' ' 16' ' ' VAL . 31.0 mt -96.15 174.82 6.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -83.42 150.03 59.29 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 123.43 7.91 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.525 1.802 . . . . 0.0 110.973 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 87.2 m -90.1 157.1 17.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 108.349 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.9 t -65.85 -25.77 67.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.375 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 151.53 -48.73 0.55 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.111 . . . . 0.0 111.042 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.86 -64.45 0.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 0.772 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.577 ' HA ' HD12 ' A' ' 44' ' ' LEU . 0.9 OUTLIER -50.75 -31.35 16.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.647 ' HG2' HD11 ' A' ' 71' ' ' ILE . 8.6 ttp180 -59.71 -52.13 66.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 110.256 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.24 -35.09 71.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 109.344 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.707 HD13 ' HB2' ' A' ' 9' ' ' GLN . 45.7 mt -59.71 -60.93 3.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.546 ' HA ' HD11 ' A' ' 13' ' ' ILE . 97.4 mt -43.28 -55.08 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -62.02 -34.3 75.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.978 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -66.82 -36.53 82.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.445 HG23 ' HG3' ' A' ' 52' ' ' LYS . 3.7 m -78.89 -65.22 1.02 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.406 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 64.6 mt -48.47 -24.31 1.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.5 -42.06 66.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.993 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.417 ' CZ3' ' CG ' ' A' ' 52' ' ' LYS . 47.1 p-90 -110.61 -31.58 7.18 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.568 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -59.37 -38.37 80.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.251 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.568 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 64.9 m-85 -152.75 80.24 5.64 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -41.16 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.496 1.788 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.33 113.13 11.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.09 -32.43 0.55 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.581 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.3 pp -132.03 166.91 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.428 ' HB2' HG21 ' A' ' 76' ' ' VAL . 4.6 t60 -128.37 111.67 13.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.591 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.3 t -91.01 131.55 37.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.406 ' CD ' ' HE2' ' A' ' 58' ' ' HIS . 5.8 pt-20 -141.64 151.23 42.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.463 ' CG2' ' HG2' ' A' ' 69' ' ' ARG . 98.3 m -103.6 105.21 15.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.425 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.822 HD12 HG21 ' A' ' 72' ' ' VAL . 16.7 mt -99.62 139.29 35.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.349 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -124.29 127.91 48.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.297 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.506 ' OG1' ' CB ' ' A' ' 67' ' ' LYS . 23.7 p -120.8 -149.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.388 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -92.75 -63.19 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -89.27 -42.14 11.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.506 ' CB ' ' OG1' ' A' ' 64' ' ' THR . 1.6 tttt -58.26 -49.96 75.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 68.15 168.67 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.463 ' HG2' ' CG2' ' A' ' 61' ' ' THR . 0.0 OUTLIER -45.28 108.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.245 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.425 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER -136.69 145.47 44.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 109.623 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.647 HD11 ' HG2' ' A' ' 42' ' ' ARG . 92.1 mt -69.36 134.71 29.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.822 HG21 HD12 ' A' ' 62' ' ' LEU . 2.9 t -133.79 136.81 53.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.481 HG22 ' CE2' ' A' ' 23' ' ' PHE . 4.1 mp -110.08 153.61 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.75 161.67 35.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -83.76 124.25 30.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.428 HG21 ' HB2' ' A' ' 58' ' ' HIS . 61.8 t -123.78 157.09 30.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -137.82 150.21 46.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.79 -63.04 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -41.82 -57.22 2.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.278 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.9 -69.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.344 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.82 122.44 8.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 110.349 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.7 t -60.11 -49.83 76.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 109.975 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 146.52 149.07 4.9 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.532 1.145 . . . . 0.0 110.96 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 83.35 1.84 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.496 1.787 . . . . 0.0 111.052 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.6 t -59.55 -61.61 2.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.017 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.6 t -52.87 -56.32 16.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.95 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.46 151.41 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 0.791 . . . . 0.0 110.003 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.9 m -69.7 -56.59 6.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 110.026 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.47 -57.69 8.06 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.443 1.09 . . . . 0.0 110.958 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -43.2 -60.62 1.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 0.764 . . . . 0.0 110.028 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.07 -63.49 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.978 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.76 -45.62 3.66 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.509 1.131 . . . . 0.0 111.067 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -42.75 -56.95 2.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.763 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.558 ' HB3' HD13 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -76.33 -36.6 58.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.354 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.447 ' O ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -50.25 -41.07 49.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -68.6 -45.47 71.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.473 ' O ' HG23 ' A' ' 16' ' ' VAL . 15.8 t80 -57.71 -57.63 11.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.638 HD11 ' HA ' ' A' ' 45' ' ' ILE . 4.8 tp -53.18 -43.84 50.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.355 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.7 -57.03 13.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -45.17 -37.64 4.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.263 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 12' ' ' PHE . 60.6 t -68.72 -49.12 67.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.1 mm -42.27 -46.37 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -52.5 -49.57 64.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -56.6 -47.69 79.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.539 HG22 HD11 ' A' ' 24' ' ' LEU . 5.7 mt -59.2 -63.85 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -39.29 -54.76 1.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -54.81 -53.0 60.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.632 ' HB2' HD13 ' A' ' 32' ' ' LEU . 1.1 t80 -55.05 -37.4 66.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.539 HD11 HG22 ' A' ' 20' ' ' ILE . 27.2 mt -70.42 -34.73 72.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -63.73 -47.65 80.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.32 145.55 31.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.036 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.43 -54.42 3.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -51.53 -51.12 57.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.355 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 28' ' ' GLU . 19.1 mttt -40.25 129.42 2.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -117.17 -35.61 4.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.3 124.76 12.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.981 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.632 HD13 ' HB2' ' A' ' 23' ' ' PHE . 21.3 tp -91.58 151.86 20.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.244 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -126.11 118.94 26.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.341 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.7 mt -94.0 173.56 7.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.16 153.0 66.05 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.97 4.74 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.525 1.803 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 85.9 m -82.79 175.81 9.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 108.271 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.0 p -81.83 -39.3 24.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.36 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 165.51 -61.67 0.23 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -50.72 -63.89 0.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 111.048 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.73 ' HA ' HD12 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -48.69 -43.84 37.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.266 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.846 ' HG3' HD11 ' A' ' 71' ' ' ILE . 2.0 tpp180 -47.85 -46.29 31.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.438 ' HG2' ' N ' ' A' ' 44' ' ' LEU . 0.7 OUTLIER -69.12 -27.84 65.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.73 HD12 ' HA ' ' A' ' 41' ' ' GLN . 61.0 mt -69.27 -46.69 66.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.638 ' HA ' HD11 ' A' ' 13' ' ' ILE . 88.2 mt -57.91 -42.38 82.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -68.25 -57.54 5.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.112 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.495 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -45.01 -53.04 8.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.137 . . . . 0.0 110.281 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.502 HG23 ' HG3' ' A' ' 52' ' ' LYS . 3.4 m -56.75 -70.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.383 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.408 HD21 HD13 ' A' ' 20' ' ' ILE . 93.0 mt -45.81 -25.84 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.4 OUTLIER -53.62 -40.52 65.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.052 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.437 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 43.6 p-90 -111.11 -32.15 6.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 108.008 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.578 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -60.78 -34.81 75.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.578 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 78.5 m-85 -155.83 81.63 3.81 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -39.34 1.26 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.514 1.797 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.97 115.29 12.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 155.57 -37.37 0.63 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.694 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.3 pp -128.46 162.52 34.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.596 ' HE2' ' CD ' ' A' ' 60' ' ' GLU . 2.0 t60 -125.45 111.99 15.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.587 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 41.0 t -90.46 130.26 39.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.596 ' CD ' ' HE2' ' A' ' 58' ' ' HIS . 5.9 pt-20 -141.27 147.1 37.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.48 ' CG2' ' HG2' ' A' ' 69' ' ' ARG . 23.5 m -105.9 109.86 21.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.35 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.532 HD12 HG21 ' A' ' 72' ' ' VAL . 6.1 mt -107.29 144.15 34.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -123.91 128.8 49.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.103 . . . . 0.0 110.302 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.5 p -119.93 -142.41 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -92.71 -62.95 1.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -95.32 -37.26 11.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 68' ' ' GLU . 0.5 OUTLIER -66.43 -25.12 66.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 67' ' ' LYS . 0.4 OUTLIER 42.61 -165.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.585 1.178 . . . . 0.0 110.311 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.48 ' HG2' ' CG2' ' A' ' 61' ' ' THR . 0.4 OUTLIER -63.11 100.35 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.439 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER -125.79 144.34 50.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.58 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.846 HD11 ' HG3' ' A' ' 42' ' ' ARG . 28.9 mt -71.54 135.99 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.532 HG21 HD12 ' A' ' 62' ' ' LEU . 2.9 t -134.04 137.29 52.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.1 mp -110.2 153.5 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.77 159.74 40.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.956 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -82.11 122.94 28.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.491 HG21 ' HB2' ' A' ' 58' ' ' HIS . 93.6 t -121.65 163.37 19.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.46 ' N ' HG12 ' A' ' 76' ' ' VAL . 7.3 t0 -151.98 162.48 41.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.28 -48.14 44.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -66.62 -22.52 66.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -66.27 -65.99 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.304 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -64.96 137.23 57.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.4 t -98.18 -49.15 4.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.008 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -41.79 118.04 1.4 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 165.74 30.68 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.458 1.767 . . . . 0.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.8 p -74.32 -59.74 2.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.989 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.16 -63.3 1.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.018 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.47 1.107 . . . . 0.0 110.985 179.96 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -120.28 83.64 2.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 0.778 . . . . 0.0 110.002 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.95 138.65 54.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.048 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.83 -58.42 3.25 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.48 -31.95 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 0.786 . . . . 0.0 109.968 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 t -92.64 -46.29 7.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.987 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.39 -26.26 2.34 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.12 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -66.67 -61.91 1.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.834 ' HB2' HD13 ' A' ' 44' ' ' LEU . 10.5 pt20 -68.33 -25.11 64.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -38.83 71.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.6 mttt -72.87 -39.88 66.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.068 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.446 ' CE2' ' HG2' ' A' ' 41' ' ' GLN . 9.5 t80 -63.73 -54.24 38.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.44 HD11 ' HA ' ' A' ' 45' ' ' ILE . 7.2 tp -55.57 -50.93 63.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.427 ' N ' HG23 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -49.43 -56.34 10.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.275 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -46.44 -39.52 10.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.296 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 12' ' ' PHE . 89.9 t -68.93 -48.08 72.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.42 ' HA ' HD12 ' A' ' 20' ' ' ILE . 8.2 mm -40.53 -49.55 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -50.74 -56.5 11.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -51.05 -45.64 61.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.449 HG22 ' CD1' ' A' ' 24' ' ' LEU . 29.7 mt -58.53 -55.96 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -50.98 -57.74 7.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -48.64 -45.74 38.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.78 ' HB2' HD13 ' A' ' 32' ' ' LEU . 0.9 OUTLIER -63.66 -43.07 97.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.967 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.449 ' CD1' HG22 ' A' ' 20' ' ' ILE . 27.2 mt -65.68 -33.13 75.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -59.4 -54.75 43.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.31 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.55 147.52 21.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -92.51 -65.31 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -41.15 -44.65 2.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.1 mttm -40.17 132.99 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.02 -38.47 3.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.78 137.09 24.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.987 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.78 HD13 ' HB2' ' A' ' 23' ' ' PHE . 17.1 tp -104.26 154.97 19.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -122.59 124.22 42.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.466 HD12 HD11 ' A' ' 73' ' ' ILE . 30.4 mt -100.19 171.39 7.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -78.05 152.33 79.47 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 118.11 5.15 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.543 1.812 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 33.7 m -82.38 157.41 23.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 108.286 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.407 HG22 ' H ' ' A' ' 38' ' ' THR . 0.9 OUTLIER -75.04 -24.55 58.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.397 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 153.34 -65.52 0.34 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.466 1.104 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -52.26 -63.45 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.498 ' HA ' HD12 ' A' ' 44' ' ' LEU . 1.3 mp0 -48.25 -42.46 30.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.72 -53.01 20.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.3 mttt -57.91 -40.94 81.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.834 HD13 ' HB2' ' A' ' 9' ' ' GLN . 32.4 mt -52.79 -55.4 23.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.44 ' HA ' HD11 ' A' ' 13' ' ' ILE . 96.8 mt -47.85 -59.74 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.404 ' OH ' ' OG1' ' A' ' 61' ' ' THR . 20.5 m-85 -55.34 -37.57 67.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.39 -48.3 80.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.601 HG23 ' HG3' ' A' ' 52' ' ' LYS . 2.3 m -66.96 -59.37 3.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.333 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.6 mt -50.89 -22.3 2.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.1 -41.93 72.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.506 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 48.1 p-90 -110.61 -31.93 7.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 107.997 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.601 ' HG3' HG23 ' A' ' 48' ' ' THR . 0.1 OUTLIER -59.91 -37.53 79.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.572 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 52.8 m-85 -158.44 79.96 3.03 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -45.37 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.48 1.779 . . . . 0.0 111.004 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.2 120.12 24.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 148.71 -32.45 1.2 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.701 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.3 pp -132.11 162.04 40.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 0.76 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.578 ' HE1' ' HB3' ' A' ' 60' ' ' GLU . 1.5 t-80 -125.93 113.94 17.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.633 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.5 t -94.31 125.42 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.578 ' HB3' ' HE1' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -129.69 151.96 49.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.44 ' CG2' ' HG2' ' A' ' 69' ' ' ARG . 47.4 m -106.12 105.88 16.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.425 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.92 HD12 HG21 ' A' ' 72' ' ' VAL . 19.7 mt -99.19 141.7 31.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -124.2 131.43 53.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.428 ' OG1' ' N ' ' A' ' 65' ' ' ASP . 4.7 p -131.13 -139.73 0.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.428 ' N ' ' OG1' ' A' ' 64' ' ' THR . 6.7 t70 -92.63 -63.32 1.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.358 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.38 -37.74 10.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.405 ' O ' ' CG ' ' A' ' 68' ' ' GLU . 0.6 OUTLIER -63.8 -33.27 75.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 10.2 pt-20 43.68 -166.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.272 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.44 ' HG2' ' CG2' ' A' ' 61' ' ' THR . 1.3 ttt180 -57.68 89.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.469 ' NE2' ' CG2' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -116.47 146.61 42.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.583 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.8 mt -74.59 141.81 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.92 HG21 HD12 ' A' ' 62' ' ' LEU . 4.2 t -138.22 135.66 44.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.426 1.079 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.612 ' N ' HD12 ' A' ' 73' ' ' ILE . 3.6 mp -108.77 148.07 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 t -136.25 157.35 47.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 110.0 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.562 ' HE3' ' CE1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -80.67 125.82 30.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.49 HG21 ' HB2' ' A' ' 58' ' ' HIS . 61.3 t -121.46 156.71 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -155.5 22.35 0.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 109.269 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.423 ' H ' HG12 ' A' ' 76' ' ' VAL . 38.6 mm-40 -57.08 -71.83 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -40.37 -45.9 2.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -65.39 -62.13 1.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -59.65 161.23 6.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 37.8 m -67.38 -49.37 64.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.986 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 62.04 -145.51 49.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.427 1.079 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 179.78 5.74 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.781 . . . . 0.0 111.005 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.1 t -58.2 -60.22 4.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.034 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.2 t -44.75 -58.43 3.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.961 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 54.97 93.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 0.765 . . . . 0.0 109.99 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.4 p -117.17 169.38 9.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.03 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.15 -67.37 1.99 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.445 1.091 . . . . 0.0 111.034 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m -40.28 -63.3 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 0.776 . . . . 0.0 109.992 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 9' ' ' GLN . 27.0 m -52.12 -57.33 9.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.976 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -41.16 -27.89 0.25 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.412 ' N ' ' C ' ' A' ' 6' ' ' SER . 2.2 t70 -65.83 -50.8 63.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 0.778 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.623 ' HB2' HD13 ' A' ' 44' ' ' LEU . 10.4 pt20 -86.04 -15.79 40.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -40.95 91.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -70.25 -40.12 74.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.441 ' CD1' ' N ' ' A' ' 13' ' ' ILE . 1.9 t80 -63.74 -53.54 49.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.528 ' CG1' HG21 ' A' ' 48' ' ' THR . 6.6 tp -57.93 -48.67 83.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.14 -53.14 37.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -50.29 -38.55 41.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.319 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.644 HG13 HD21 ' A' ' 34' ' ' LEU . 88.7 t -67.93 -50.13 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 16' ' ' VAL . 5.9 mm -40.12 -51.69 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -49.48 -49.13 46.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 110.271 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -56.56 -47.71 78.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.535 ' CD1' HD21 ' A' ' 49' ' ' LEU . 69.1 mt -61.54 -66.96 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 20' ' ' ILE . 4.4 mm-40 -38.81 -51.34 1.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.239 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -57.3 -50.33 73.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.519 ' CG ' ' HB2' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -59.2 -35.16 73.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.501 ' CD1' HG22 ' A' ' 20' ' ' ILE . 36.6 mt -75.68 -25.98 57.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -69.48 -45.52 68.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.295 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 t -60.79 144.3 52.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.996 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -90.54 -39.7 12.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.322 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -66.37 -54.34 25.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 110.259 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -40.37 128.34 2.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -111.95 -34.67 5.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.37 144.66 30.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.519 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 37.5 tp -114.08 153.72 28.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -125.5 116.39 21.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.644 HD21 HG13 ' A' ' 16' ' ' VAL . 27.3 mt -85.48 175.5 8.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -78.2 157.13 78.63 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.353 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 117.49 4.93 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.526 1.803 . . . . 0.0 110.972 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 61.7 m -83.45 169.26 15.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 108.331 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.97 -33.29 14.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.371 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 164.29 -64.14 0.24 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.5 -63.28 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.612 ' HA ' HD12 ' A' ' 44' ' ' LEU . 10.5 mt-30 -45.74 -52.37 11.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.278 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.782 ' HG3' HD11 ' A' ' 71' ' ' ILE . 50.2 ttp85 -42.02 -53.47 3.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.347 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.88 -38.45 70.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.623 HD13 ' HB2' ' A' ' 9' ' ' GLN . 33.2 mt -60.66 -60.2 4.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 92.8 mt -42.92 -58.49 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -56.48 -40.38 74.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.1 OUTLIER -60.45 -54.0 50.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.528 HG21 ' CG1' ' A' ' 13' ' ' ILE . 3.2 m -58.74 -59.19 5.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.39 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.535 HD21 ' CD1' ' A' ' 20' ' ' ILE . 76.1 mt -53.74 -20.13 5.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 1.3 t -57.96 -39.56 78.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 110.012 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.474 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 42.3 p-90 -111.88 -32.68 6.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 108.006 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.562 ' HB3' ' CE2' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -60.15 -31.24 69.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 64.4 m-85 -158.0 82.1 2.92 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -46.44 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.533 1.807 . . . . 0.0 110.965 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.15 117.21 18.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 154.78 -38.86 0.65 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.526 1.142 . . . . 0.0 111.011 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.674 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.1 pp -129.2 168.49 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.256 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.64 ' HB2' HG21 ' A' ' 76' ' ' VAL . 2.3 t-80 -134.23 109.58 8.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.574 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 56.8 t -82.25 125.05 39.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.43 1.081 . . . . 0.0 109.313 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.99 146.63 47.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 13.2 m -101.61 104.43 15.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.419 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.811 HD12 HG21 ' A' ' 72' ' ' VAL . 55.6 mt -88.97 152.89 21.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.476 ' HG2' ' N ' ' A' ' 64' ' ' THR . 6.6 tt0 -93.94 146.02 24.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.476 ' N ' ' HG2' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -117.37 -161.17 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.379 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -90.08 -63.86 1.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -95.25 -38.65 10.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.475 ' O ' ' CB ' ' A' ' 68' ' ' GLU . 4.3 mttt -53.03 -47.94 67.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.475 ' CB ' ' O ' ' A' ' 67' ' ' LYS . 13.2 tt0 85.15 -17.44 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.474 ' CD ' ' C ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER 178.65 155.35 0.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.499 ' NE2' ' CG2' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -167.04 145.18 4.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.613 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.782 HD11 ' HG3' ' A' ' 42' ' ' ARG . 38.6 mt -75.16 141.8 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.811 HG21 HD12 ' A' ' 62' ' ' LEU . 3.7 t -138.46 146.86 25.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.8 HD12 ' C ' ' A' ' 72' ' ' VAL . 2.0 mp -119.21 122.48 69.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.7 t -108.87 153.57 23.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.991 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.37 128.09 33.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.64 HG21 ' HB2' ' A' ' 58' ' ' HIS . 92.6 t -127.59 163.06 31.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.46 ' N ' HG12 ' A' ' 76' ' ' VAL . 38.2 t70 -140.11 156.28 46.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.5 -59.32 5.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.98 -57.48 3.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.07 -66.78 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.7 114.43 28.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.63 -48.26 11.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.021 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 147.83 -170.01 28.56 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 99.14 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 92.7 p -39.77 -42.71 1.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.024 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.78 -62.39 1.43 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.965 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.488 1.117 . . . . 0.0 111.027 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.88 121.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.752 . . . . 0.0 110.005 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.4 m 49.36 90.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.978 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.63 -61.67 1.22 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -66.89 -39.63 87.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 110.004 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.18 -49.91 14.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.006 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.06 -32.18 0.36 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.67 -65.05 0.75 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 0.73 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.74 ' HB2' HD13 ' A' ' 44' ' ' LEU . 10.4 pt20 -66.23 -29.75 70.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -36.18 61.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.4 mmtt -76.1 -39.86 54.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.533 ' CE2' ' HG2' ' A' ' 41' ' ' GLN . 9.4 t80 -62.62 -53.81 49.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.566 ' CG1' HG21 ' A' ' 48' ' ' THR . 6.4 tp -54.68 -53.01 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.476 ' N ' HG23 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -49.35 -54.25 18.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -48.56 -37.07 16.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.293 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 12' ' ' PHE . 96.6 t -72.32 -48.58 47.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.434 ' HA ' HD12 ' A' ' 20' ' ' ILE . 9.3 mm -40.19 -46.37 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -52.09 -48.77 64.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 16' ' ' VAL . 21.6 mttt -56.67 -44.9 81.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.542 HG22 ' CD1' ' A' ' 24' ' ' LEU . 14.3 mt -62.11 -63.66 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.165 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -38.68 -56.25 1.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -54.52 -53.58 52.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.522 ' CG ' ' HB2' ' A' ' 32' ' ' LEU . 1.3 t80 -53.87 -36.18 62.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.542 ' CD1' HG22 ' A' ' 20' ' ' ILE . 28.6 mt -72.3 -40.41 67.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -56.55 -51.32 69.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.255 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.401 ' CB ' ' HD2' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -54.99 146.78 16.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.0 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -92.27 -57.14 2.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -49.17 -50.97 35.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.401 ' HD2' ' CB ' ' A' ' 26' ' ' SER . 22.3 mttp -40.3 126.05 2.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.8 mmt-85 -115.89 -33.58 5.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.122 . . . . 0.0 110.289 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.06 129.39 16.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.522 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 34.2 tp -97.17 151.49 19.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -127.93 120.69 28.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.356 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 26.6 mt -91.96 175.93 6.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.282 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -86.64 152.72 54.79 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 110.61 3.15 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.525 1.803 . . . . 0.0 110.949 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.4 p -86.76 -168.55 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 108.324 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.414 ' OG1' ' N ' ' A' ' 39' ' ' GLY . 31.1 p -85.1 -62.24 1.58 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.443 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.414 ' N ' ' OG1' ' A' ' 38' ' ' THR . . . -178.39 -63.47 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -41.04 -61.91 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 0.0 111.013 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.533 ' HG2' ' CE2' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -49.29 -47.49 46.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.779 ' HG2' HD11 ' A' ' 71' ' ' ILE . 10.9 ttp180 -43.96 -50.34 8.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -60.44 -39.73 88.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.74 HD13 ' HB2' ' A' ' 9' ' ' GLN . 28.6 mt -59.61 -48.26 82.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 67.0 mt -53.49 -57.53 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -57.76 -42.85 84.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.483 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.4 OUTLIER -57.39 -52.43 65.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.616 HG23 ' HG3' ' A' ' 52' ' ' LYS . 2.3 m -59.73 -63.04 1.44 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.137 . . . . 0.0 110.391 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.4 mt -49.52 -23.36 1.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 1.0 OUTLIER -54.37 -41.9 69.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.521 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 48.7 p-90 -110.77 -32.28 6.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 107.98 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.616 ' HG3' HG23 ' A' ' 48' ' ' THR . 0.0 OUTLIER -59.02 -36.99 75.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.57 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 58.8 m-85 -156.69 79.51 3.78 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -38.29 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.485 1.781 . . . . 0.0 111.033 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.31 117.79 14.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 151.96 -36.99 0.82 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.477 1.11 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.679 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.1 pp -129.47 165.95 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.536 ' HB2' HG21 ' A' ' 76' ' ' VAL . 1.6 t60 -126.99 118.24 24.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.613 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 62.1 t -97.11 133.39 38.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.448 ' OE1' ' NE2' ' A' ' 58' ' ' HIS . 2.4 pt-20 -142.09 139.78 32.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.55 ' O ' HD13 ' A' ' 62' ' ' LEU . 1.9 m -111.02 125.88 54.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.359 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.918 ' N ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -126.57 148.81 49.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -116.97 128.12 54.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.34 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.449 ' OG1' ' CB ' ' A' ' 67' ' ' LYS . 50.4 p -112.59 -143.57 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 110.45 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -92.47 -64.52 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.0 pttt -97.1 -37.08 10.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.265 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.449 ' CB ' ' OG1' ' A' ' 64' ' ' THR . 0.8 OUTLIER -61.49 -32.04 72.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 51.69 -171.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 33.4 mtt85 -52.78 99.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.567 ' CE1' ' CG2' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -118.49 147.92 43.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.524 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.779 HD11 ' HG2' ' A' ' 42' ' ' ARG . 72.1 mt -86.31 141.22 14.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.567 ' CG2' ' CE1' ' A' ' 70' ' ' HIS . 3.9 t -138.01 137.21 44.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.177 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.404 ' N ' HD12 ' A' ' 73' ' ' ILE . 3.8 mp -109.91 154.71 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.69 163.11 31.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.004 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -86.81 122.15 30.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.253 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.536 HG21 ' HB2' ' A' ' 58' ' ' HIS . 94.0 t -123.07 165.65 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.511 ' N ' HG12 ' A' ' 76' ' ' VAL . 1.8 t70 -149.11 159.53 44.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.46 -70.01 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.258 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -45.68 -52.78 10.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -38.91 -57.55 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -64.12 131.46 47.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.99 -49.91 5.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.961 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -51.5 157.5 2.93 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 176.59 9.71 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.788 . . . . 0.0 111.006 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 54.9 p -93.41 -57.44 2.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.0 m -78.5 -57.79 3.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.998 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 t 60.59 90.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 109.946 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.8 m -157.95 88.58 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.97 -68.5 1.43 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.542 1.151 . . . . 0.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -72.75 -63.86 1.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 0.752 . . . . 0.0 110.025 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.78 -48.85 20.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 109.979 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.03 -26.28 1.2 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.584 1.177 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -70.18 -55.29 9.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 109.341 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.805 ' HB2' HD13 ' A' ' 44' ' ' LEU . 0.8 OUTLIER -74.52 -15.45 60.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.51 -42.17 78.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -71.64 -36.15 70.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.544 ' CE2' ' HG2' ' A' ' 41' ' ' GLN . 9.3 t80 -67.68 -55.84 11.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.636 HD11 ' HA ' ' A' ' 45' ' ' ILE . 6.3 tp -53.89 -52.47 35.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.464 ' N ' HG23 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -47.95 -56.89 6.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -45.68 -40.14 8.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.331 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 19' ' ' LYS . 95.3 t -70.96 -46.33 68.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.0 mm -41.71 -39.34 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -60.79 -46.6 89.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 16' ' ' VAL . 8.7 mttm -58.01 -47.91 81.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.78 HG22 ' CD1' ' A' ' 24' ' ' LEU . 72.7 mt -61.84 -61.88 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' ILE . 1.7 mt-10 -37.07 -63.38 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.79 -56.07 9.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.581 ' CE1' ' HE3' ' A' ' 75' ' ' LYS . 1.9 t80 -51.81 -36.66 48.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.78 ' CD1' HG22 ' A' ' 20' ' ' ILE . 18.1 mt -73.27 -36.59 66.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -63.77 -46.28 85.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.9 145.84 39.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.964 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -92.51 -53.99 3.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -51.54 -49.49 61.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -41.12 132.16 2.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.03 -40.21 3.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.353 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -144.97 125.0 13.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.996 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.566 ' HB2' ' CD1' ' A' ' 23' ' ' PHE . 14.9 tp -96.37 130.06 43.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -103.83 120.87 41.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 34' ' ' LEU . 27.0 mt -91.85 170.69 9.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -83.84 148.49 54.36 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 114.56 4.05 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.43 1.753 . . . . 0.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.6 p -90.19 -158.85 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 108.308 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 39' ' ' GLY . 20.9 p -85.75 -61.64 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.377 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.448 ' N ' ' OG1' ' A' ' 38' ' ' THR . . . 175.77 -49.5 0.12 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.461 1.101 . . . . 0.0 111.046 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -54.23 -59.54 4.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 111.006 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.726 ' HA ' HD12 ' A' ' 44' ' ' LEU . 5.8 mp0 -49.73 -51.42 38.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.823 ' HG3' HD11 ' A' ' 71' ' ' ILE . 25.5 ttp85 -42.37 -50.88 5.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.325 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -58.19 -38.9 77.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.805 HD13 ' HB2' ' A' ' 9' ' ' GLN . 34.8 mt -59.56 -50.39 74.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.636 ' HA ' HD11 ' A' ' 13' ' ' ILE . 91.3 mt -52.86 -58.03 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.148 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.599 ' CZ ' HG12 ' A' ' 59' ' ' VAL . 17.4 m-85 -54.72 -44.36 73.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.507 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -57.97 -53.12 61.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.253 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.416 HG23 ' HG3' ' A' ' 52' ' ' LYS . 1.4 m -58.07 -59.81 4.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.397 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.614 HD21 ' CD1' ' A' ' 20' ' ' ILE . 59.5 mt -54.54 -19.99 6.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 1.0 OUTLIER -58.35 -38.07 76.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.994 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.553 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 54.4 p-90 -111.93 -32.25 6.66 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.586 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.7 OUTLIER -61.92 -31.84 72.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.586 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 63.3 m-85 -160.5 84.07 2.02 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -35.82 2.97 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.518 1.799 . . . . 0.0 110.974 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.3 104.64 5.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 175.25 -46.04 0.13 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.51 HD11 ' CB ' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -131.34 -178.06 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 109.327 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.815 ' HB2' HG21 ' A' ' 76' ' ' VAL . 1.9 t-80 -142.12 110.59 6.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.564 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.694 HG13 HG23 ' A' ' 71' ' ' ILE . 22.0 t -83.63 127.49 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -139.24 140.99 37.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.361 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.4 m -96.15 104.66 16.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 110.4 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.829 HD12 HG21 ' A' ' 72' ' ' VAL . 35.9 mt -97.28 134.51 40.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -114.5 128.13 56.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.509 ' OG1' ' CB ' ' A' ' 67' ' ' LYS . 30.3 p -123.18 -147.25 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 110.431 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -88.44 -63.32 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.234 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -95.4 -39.15 10.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.509 ' CB ' ' OG1' ' A' ' 64' ' ' THR . 0.0 OUTLIER -58.72 -48.34 81.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 69' ' ' ARG . 41.7 mt-10 59.88 169.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.461 ' O ' ' CG ' ' A' ' 69' ' ' ARG . 17.6 ptt180 -38.36 107.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.457 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.2 OUTLIER -136.23 143.28 44.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.628 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.823 HD11 ' HG3' ' A' ' 42' ' ' ARG . 86.9 mt -69.0 138.99 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.829 HG21 HD12 ' A' ' 62' ' ' LEU . 2.6 t -133.85 131.14 56.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.61 ' N ' HD12 ' A' ' 73' ' ' ILE . 3.9 mp -104.24 111.95 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.508 ' O ' HG23 ' A' ' 76' ' ' VAL . 2.1 m -109.0 129.36 55.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.964 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.581 ' HE3' ' CE1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -53.52 132.11 39.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.815 HG21 ' HB2' ' A' ' 58' ' ' HIS . 53.2 t -128.72 165.62 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.488 ' N ' HG12 ' A' ' 76' ' ' VAL . 3.7 t70 -148.58 167.48 25.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.38 -60.16 2.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.41 ' OE1' ' N ' ' A' ' 80' ' ' GLU . 0.1 OUTLIER -42.01 -37.62 1.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.241 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.41 ' N ' ' OE1' ' A' ' 79' ' ' GLU . 0.3 OUTLIER -49.0 -59.96 3.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 110.24 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.49 141.52 38.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.3 t -61.56 -49.95 74.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.016 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 129.09 111.27 1.53 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 99.85 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.435 1.755 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 57.9 p -46.27 -59.29 3.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.959 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.3 m -71.26 -59.95 2.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.016 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.47 1.107 . . . . 0.0 110.978 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t 67.44 123.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.763 . . . . 0.0 109.995 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.88 157.17 17.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.944 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.33 -69.03 1.46 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.48 1.113 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.3 -63.19 1.0 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 0.773 . . . . 0.0 110.002 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.3 t -40.24 -57.5 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.949 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.46 -47.5 87.68 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.473 1.108 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -54.49 -55.41 29.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 0.769 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.547 ' HB3' HD13 ' A' ' 44' ' ' LEU . 58.0 mm-40 -64.75 -19.89 66.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.54 -35.65 79.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.7 mttp -75.81 -37.94 58.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.564 ' CE2' ' HG2' ' A' ' 41' ' ' GLN . 4.3 t80 -64.56 -51.87 60.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.602 HD11 ' HA ' ' A' ' 45' ' ' ILE . 4.9 tp -58.35 -53.8 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.48 ' N ' HG23 ' A' ' 13' ' ' ILE . 11.0 t0 -45.88 -54.54 8.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -48.02 -44.0 30.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 12' ' ' PHE . 96.1 t -62.43 -51.01 77.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 16' ' ' VAL . 6.8 mm -39.91 -55.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -41.49 -50.54 3.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.27 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -60.71 -45.09 95.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.674 HD13 HD21 ' A' ' 49' ' ' LEU . 72.0 mt -59.96 -66.25 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -38.61 -57.61 1.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.5 -54.77 28.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.569 ' HB2' HD13 ' A' ' 32' ' ' LEU . 2.2 t80 -53.27 -37.26 62.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.539 HD21 HG21 ' A' ' 57' ' ' ILE . 35.2 mt -71.71 -32.23 67.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -68.5 -58.81 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.242 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.26 147.23 1.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.988 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.14 -59.57 2.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.71 -47.9 20.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -42.39 127.89 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -117.42 -35.66 3.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.0 129.7 17.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.963 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.569 HD13 ' HB2' ' A' ' 23' ' ' PHE . 26.5 tp -96.35 157.57 15.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.429 ' HG2' HG22 ' A' ' 72' ' ' VAL . 32.6 mt-10 -131.08 128.32 39.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 34' ' ' LEU . 22.3 mt -104.81 166.36 10.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.19 155.67 92.79 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 116.99 4.75 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.471 1.774 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 37.6 m -90.08 175.36 7.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 108.299 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.0 t -89.23 -23.51 22.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.077 . . . . 0.0 110.404 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.13 -74.06 0.27 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.566 ' CD1' ' HD3' ' A' ' 43' ' ' LYS . 43.2 t80 -37.5 -62.3 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 0.752 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.694 ' HA ' HD12 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -42.21 -52.46 4.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -45.75 -50.53 13.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.566 ' HD3' ' CD1' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -58.47 -29.65 66.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.581 1.175 . . . . 0.0 109.334 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.694 HD12 ' HA ' ' A' ' 41' ' ' GLN . 26.7 mt -71.1 -48.63 51.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.602 ' HA ' HD11 ' A' ' 13' ' ' ILE . 89.6 mt -58.41 -48.62 84.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -63.34 -36.39 83.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.497 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.7 OUTLIER -62.3 -52.5 63.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.324 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.478 HG23 ' HE2' ' A' ' 52' ' ' LYS . 1.0 OUTLIER -57.82 -63.78 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.376 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.674 HD21 HD13 ' A' ' 20' ' ' ILE . 47.9 mt -49.37 -24.16 1.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.078 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 1.0 OUTLIER -54.23 -40.23 67.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.986 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.547 ' CH2' ' HG3' ' A' ' 52' ' ' LYS . 55.0 p-90 -111.8 -32.15 6.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 108.022 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.584 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.7 OUTLIER -62.63 -44.7 95.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.584 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 72.8 m-85 -154.78 80.83 4.42 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -35.69 2.99 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.526 1.803 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.453 ' CB ' ' HG3' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -135.95 108.0 7.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 172.72 -39.22 0.15 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.502 1.127 . . . . 0.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.539 HG21 HD21 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -129.23 -176.92 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.462 0.742 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.419 ' HB2' HG21 ' A' ' 76' ' ' VAL . 10.9 t60 -136.94 114.86 11.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.615 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.6 t -93.23 135.97 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -143.98 144.05 31.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.8 m -96.32 104.97 16.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.437 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.821 HD12 HG21 ' A' ' 72' ' ' VAL . 43.9 mt -99.84 141.5 32.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -124.35 129.05 50.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.52 ' OG1' ' CB ' ' A' ' 67' ' ' LYS . 27.3 p -124.81 -148.3 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 110.459 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.05 -63.08 1.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 67' ' ' LYS . 7.7 ptmt -91.23 -41.02 11.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.52 ' CB ' ' OG1' ' A' ' 64' ' ' THR . 0.0 OUTLIER -58.28 -48.42 80.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 62.89 172.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.14 103.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.445 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER -131.6 143.7 50.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.579 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 30.0 mt -71.18 131.18 34.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.821 HG21 HD12 ' A' ' 62' ' ' LEU . 3.9 t -126.92 140.32 49.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.446 ' N ' HD12 ' A' ' 73' ' ' ILE . 4.7 mp -113.36 153.43 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.88 161.68 35.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.009 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -83.65 124.03 30.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.419 HG21 ' HB2' ' A' ' 58' ' ' HIS . 91.7 t -126.76 154.44 36.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.258 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.52 21.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -96.68 -71.28 0.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.453 ' HG3' ' CB ' ' A' ' 55' ' ' LYS . 2.0 pt-20 -56.12 -18.03 8.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -75.17 -51.51 13.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.6 149.39 24.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.1 m -61.27 -47.01 87.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 84.29 -152.91 28.54 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.47 1.107 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 141.21 26.31 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.5 1.789 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.7 m -92.76 -57.99 2.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 0.0 110.045 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.1 m -77.98 -58.51 3.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.02 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 -179.956 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.0 t 59.84 116.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 0.782 . . . . 0.0 110.044 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.56 126.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.995 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.01 -62.93 1.1 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.71 -66.41 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 m -60.93 -47.02 88.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.034 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -41.27 -29.26 0.36 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 111.034 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -61.84 -59.54 4.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 0.793 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.64 ' HB2' HD13 ' A' ' 44' ' ' LEU . 10.2 pt20 -76.13 -28.53 57.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.273 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.75 -37.99 60.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -73.52 -50.34 21.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.603 ' CE1' ' OE1' ' A' ' 41' ' ' GLN . 9.1 t80 -56.0 -53.7 53.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.605 HD11 ' HA ' ' A' ' 45' ' ' ILE . 6.6 tp -54.99 -49.98 66.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.416 ' N ' HG23 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -51.33 -56.16 14.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -45.88 -38.29 7.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.614 HG12 HD11 ' A' ' 20' ' ' ILE . 97.9 t -70.24 -49.07 57.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.61 ' HA ' HD12 ' A' ' 20' ' ' ILE . 7.6 mm -40.07 -48.13 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -50.78 -58.19 6.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -51.68 -39.22 57.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.614 HD11 HG12 ' A' ' 16' ' ' VAL . 14.0 mt -65.11 -47.28 88.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -56.08 -52.96 62.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 0.0 110.347 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.414 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 2.1 t0 -55.67 -31.25 62.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.563 ' HB2' HD13 ' A' ' 32' ' ' LEU . 2.0 t80 -77.33 -23.7 50.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.5 mt -93.11 -33.83 13.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 22' ' ' ASP . 6.8 pt20 -66.78 -37.79 85.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.413 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 1.9 t -70.05 152.89 43.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.037 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -92.21 -66.76 0.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -42.86 -49.9 5.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 110.352 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.413 ' CG ' ' HB3' ' A' ' 26' ' ' SER . 36.6 mttt -40.1 126.45 2.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.04 -36.7 3.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 73' ' ' ILE . 0.8 OUTLIER -146.16 129.76 16.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.033 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.563 HD13 ' HB2' ' A' ' 23' ' ' PHE . 17.9 tp -96.25 157.28 15.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -129.07 115.76 18.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 110.315 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.699 HD12 HD11 ' A' ' 73' ' ' ILE . 27.4 mt -94.71 176.68 6.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -87.38 152.19 52.06 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 115.75 4.38 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.498 1.788 . . . . 0.0 111.031 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 67.6 m -78.01 159.4 28.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 108.31 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.3 t -67.33 -21.94 65.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.374 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 146.46 -60.32 0.48 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -52.06 -61.38 2.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 0.756 . . . . 0.0 110.961 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.603 ' OE1' ' CE1' ' A' ' 12' ' ' PHE . 20.5 mm-40 -48.95 -50.62 34.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.683 ' HG3' HD11 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -42.02 -52.7 4.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.338 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -57.18 -40.99 78.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.3 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.64 HD13 ' HB2' ' A' ' 9' ' ' GLN . 28.7 mt -58.29 -53.02 63.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.605 ' HA ' HD11 ' A' ' 13' ' ' ILE . 98.7 mt -50.87 -59.57 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -53.92 -42.23 68.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.495 ' O ' ' CB ' ' A' ' 50' ' ' SER . 1.0 OUTLIER -57.35 -54.67 44.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.519 HG23 ' HG3' ' A' ' 52' ' ' LYS . 2.4 m -59.62 -60.73 3.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 110.386 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.407 HD13 HG21 ' A' ' 59' ' ' VAL . 59.5 mt -50.68 -22.96 2.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 1.4 t -54.44 -41.62 69.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.969 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 41.2 p-90 -110.69 -31.86 7.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 107.993 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.553 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -59.89 -35.11 74.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.553 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 57.0 m-85 -156.98 81.67 3.31 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -50.33 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.452 1.764 . . . . 0.0 110.965 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.81 121.45 34.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 147.03 -35.97 1.24 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.755 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.3 pp -132.58 161.05 42.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.625 ' CE1' ' HB3' ' A' ' 60' ' ' GLU . 6.2 t-80 -128.07 103.62 7.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.6 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.474 ' CG1' HG23 ' A' ' 71' ' ' ILE . 43.3 t -77.42 104.53 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.625 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 10.0 pt-20 -109.52 159.11 17.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.362 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.0 m -114.86 103.67 11.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.36 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.825 HD12 HG21 ' A' ' 72' ' ' VAL . 54.2 mt -88.07 134.9 33.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.604 ' C ' HG22 ' A' ' 64' ' ' THR . 0.3 OUTLIER -105.21 149.46 25.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.604 HG22 ' C ' ' A' ' 63' ' ' GLU . 0.1 OUTLIER 174.73 175.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.404 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.512 ' N ' ' OG1' ' A' ' 64' ' ' THR . 1.7 m-20 -90.06 -11.28 41.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.425 ' HG3' ' OG1' ' A' ' 64' ' ' THR . 0.1 OUTLIER -95.16 -36.89 11.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.562 ' HB2' HG23 ' A' ' 64' ' ' THR . 8.3 mmpt? -102.49 -62.69 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER 77.37 96.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER 36.09 67.42 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.527 ' CG ' ' HB3' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -110.58 148.03 33.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.573 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.683 HD11 ' HG3' ' A' ' 42' ' ' ARG . 92.9 mt -77.82 143.2 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.825 HG21 HD12 ' A' ' 62' ' ' LEU . 2.4 t -138.62 132.33 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.824 ' N ' HD12 ' A' ' 73' ' ' ILE . 2.1 mp -101.92 111.86 33.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.456 ' O ' HG23 ' A' ' 76' ' ' VAL . 2.0 m -108.44 127.46 53.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.026 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -54.15 139.08 36.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.574 HG21 ' HB2' ' A' ' 58' ' ' HIS . 69.4 t -129.13 165.04 29.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.495 ' N ' HG12 ' A' ' 76' ' ' VAL . 38.8 t70 -138.62 151.14 46.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -81.34 -60.19 2.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.25 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -42.25 -51.97 4.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.337 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.55 -60.77 3.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.257 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -58.18 111.8 1.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.76 -49.06 72.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 109.93 109.57 3.23 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -49.53 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.503 1.791 . . . . 0.0 111.023 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 37.5 p -76.45 -57.63 3.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.7 t -51.21 -56.33 13.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.96 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.529 1.143 . . . . 0.0 110.966 -179.934 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.17 146.01 9.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.77 . . . . 0.0 110.036 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m -101.49 88.83 3.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.015 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.53 -63.39 1.12 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.478 1.111 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -45.51 -37.68 5.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 0.765 . . . . 0.0 109.96 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 t -83.65 -45.39 13.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.959 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.78 -24.82 6.38 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -68.13 -55.33 12.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 109.265 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.68 ' HB2' HD13 ' A' ' 44' ' ' LEU . 9.7 pt20 -75.58 -16.29 60.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.259 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -64.06 -36.84 85.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -72.78 -46.92 50.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.489 ' CZ ' ' HG2' ' A' ' 41' ' ' GLN . 6.8 t80 -57.98 -53.66 55.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.632 HD11 ' HA ' ' A' ' 45' ' ' ILE . 6.9 tp -56.41 -49.5 76.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.405 ' N ' HG23 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -51.39 -53.16 39.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -49.29 -38.06 26.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 12' ' ' PHE . 94.1 t -69.25 -49.87 57.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 16' ' ' VAL . 7.7 mm -40.06 -51.94 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -48.69 -51.33 29.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -53.16 -49.15 67.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.494 ' CD1' HD21 ' A' ' 49' ' ' LEU . 31.8 mt -57.81 -62.2 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -40.58 -50.49 2.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.06 -50.03 74.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.868 ' HB2' HD13 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -58.17 -35.84 72.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 110.944 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.416 HD21 HG21 ' A' ' 57' ' ' ILE . 47.2 mt -74.07 -40.29 62.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -56.44 -43.06 79.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.446 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -67.92 146.13 53.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.981 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.44 -64.68 1.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.35 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.1 -43.45 3.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.245 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.446 ' CG ' ' HB3' ' A' ' 26' ' ' SER . 16.9 mttp -43.14 135.16 3.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.16 -36.74 3.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.89 149.9 35.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.153 . . . . 0.0 110.011 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.868 HD13 ' HB2' ' A' ' 23' ' ' PHE . 24.8 tp -112.93 148.31 35.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -122.12 123.69 42.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.0 mt -99.64 175.27 5.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -83.42 152.04 63.43 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 120.08 5.92 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.484 1.781 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.443 ' HB2' ' CG ' ' A' ' 42' ' ' ARG . 74.6 m -90.04 -171.49 3.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 108.313 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.7 t -93.62 -29.7 15.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 110.45 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 154.49 -52.0 0.46 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.506 ' O ' ' CG ' ' A' ' 43' ' ' LYS . 5.5 t80 -58.8 -65.23 0.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 0.742 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.571 ' HA ' HD12 ' A' ' 44' ' ' LEU . 10.2 mt-30 -40.5 -41.96 1.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.443 ' CG ' ' HB2' ' A' ' 37' ' ' CYS . 6.4 mtm180 -55.43 -52.95 61.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.506 ' CG ' ' O ' ' A' ' 40' ' ' PHE . 1.3 ptpt -57.17 -26.81 61.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.68 HD13 ' HB2' ' A' ' 9' ' ' GLN . 26.8 mt -72.61 -51.33 20.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.632 ' HA ' HD11 ' A' ' 13' ' ' ILE . 59.6 mt -54.99 -51.45 53.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -60.66 -39.9 90.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -65.48 -42.17 92.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.526 HG21 ' CG1' ' A' ' 13' ' ' ILE . 2.8 m -70.41 -59.78 2.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.389 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.494 HD21 ' CD1' ' A' ' 20' ' ' ILE . 79.5 mt -54.11 -20.75 7.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.27 -38.52 74.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.986 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.505 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 51.6 p-90 -111.73 -32.37 6.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 107.963 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.561 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -62.25 -33.02 73.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.561 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 68.3 m-85 -158.09 82.69 2.82 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -46.19 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.91 126.54 38.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 142.49 -33.82 1.86 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.466 1.104 . . . . 0.0 110.951 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.616 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.5 pp -131.02 163.25 37.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.774 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.603 ' HB2' HG21 ' A' ' 76' ' ' VAL . 3.2 t60 -129.77 111.07 12.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.592 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.635 HG22 HG13 ' A' ' 73' ' ' ILE . 21.2 t -99.85 126.6 53.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.503 ' OE1' ' N ' ' A' ' 61' ' ' THR . 0.0 OUTLIER -141.73 165.15 28.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.503 ' N ' ' OE1' ' A' ' 60' ' ' GLU . 4.7 m -99.67 103.22 14.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.368 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.764 HD12 HG11 ' A' ' 72' ' ' VAL . 31.9 mt -99.51 135.94 40.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -124.52 128.4 48.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 65' ' ' ASP . 2.1 p -127.26 -143.84 0.29 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 110.417 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.436 ' N ' ' OG1' ' A' ' 64' ' ' THR . 0.6 OUTLIER -92.66 -63.36 1.23 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -89.95 -41.01 12.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.63 -38.26 90.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 50.52 -177.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.449 ' HG2' ' CG2' ' A' ' 61' ' ' THR . 0.1 OUTLIER -55.99 114.79 2.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.339 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.563 ' CE1' ' CG2' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -154.52 146.1 23.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.593 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.408 HG23 ' CG1' ' A' ' 59' ' ' VAL . 55.1 mt -63.88 129.21 27.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.764 HG11 HD12 ' A' ' 62' ' ' LEU . 2.3 t -130.64 147.67 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.635 HG13 HG22 ' A' ' 59' ' ' VAL . 4.3 mp -116.8 151.57 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.83 159.35 42.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.003 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.564 ' HE3' ' CE1' ' A' ' 23' ' ' PHE . 0.4 OUTLIER -79.08 125.76 29.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.603 HG21 ' HB2' ' A' ' 58' ' ' HIS . 86.2 t -124.24 163.09 24.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.463 ' N ' HG12 ' A' ' 76' ' ' VAL . 3.5 t70 -137.44 154.89 49.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.94 -64.36 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.21 -60.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.253 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.25 -66.27 0.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.35 156.52 7.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 26.0 m -89.31 -48.33 7.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 110.002 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 112.36 157.25 13.35 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 153.49 42.14 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.455 1.766 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.4 -55.14 5.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.002 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.4 t -75.53 -55.4 5.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.994 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.967 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 m -153.46 117.16 4.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.754 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 p -149.92 -176.18 5.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.71 -60.64 3.36 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.8 p -42.26 -44.4 3.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 0.778 . . . . 0.0 109.983 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.93 -53.64 6.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.018 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.23 -26.19 1.35 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.55 1.156 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -66.28 -56.3 11.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.777 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.8 ' HB2' HD13 ' A' ' 44' ' ' LEU . 7.7 pt20 -76.29 -20.9 56.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -37.59 87.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -72.14 -44.05 63.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.411 ' CZ ' ' HB3' ' A' ' 41' ' ' GLN . 8.2 t80 -61.18 -53.42 57.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.991 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.623 HD11 ' HA ' ' A' ' 45' ' ' ILE . 6.8 tp -57.65 -54.48 30.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.501 ' N ' HG23 ' A' ' 13' ' ' ILE . 56.9 t0 -45.5 -52.52 10.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -50.59 -40.6 52.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.338 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.2 t -66.9 -52.92 39.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.544 ' N ' HD13 ' A' ' 17' ' ' ILE . 3.7 mm -40.27 -41.3 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -59.24 -53.79 54.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 110.294 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -52.57 -42.29 64.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.549 1.156 . . . . 0.0 109.38 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.526 HG22 HD11 ' A' ' 24' ' ' LEU . 71.8 mt -64.21 -61.57 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -39.61 -55.88 1.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.261 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -54.33 -52.32 61.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.717 ' HB2' HD13 ' A' ' 32' ' ' LEU . 1.1 t80 -55.5 -35.89 66.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 111.024 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.526 HD11 HG22 ' A' ' 20' ' ' ILE . 36.5 mt -73.82 -34.45 64.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -59.87 -44.8 93.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.1 146.45 54.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.003 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.27 -51.58 5.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -49.52 67.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -43.63 130.32 5.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -114.28 -34.32 5.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.27 146.07 30.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.991 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.717 HD13 ' HB2' ' A' ' 23' ' ' PHE . 21.2 tp -111.23 155.01 23.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -127.44 120.14 27.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 28.3 mt -94.98 178.14 5.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.17 151.94 60.83 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 114.26 3.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.516 1.798 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.0 p -89.2 168.01 12.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 108.325 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.5 t -70.93 -45.69 63.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.401 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.427 ' HA2' ' NH1' ' A' ' 42' ' ' ARG . . . 169.11 -67.98 0.17 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.413 1.071 . . . . 0.0 111.039 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -38.01 -59.99 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 0.772 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.425 ' NE2' HD12 ' A' ' 44' ' ' LEU . 28.3 mm100 -51.03 -41.07 59.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.679 ' HG2' HD11 ' A' ' 71' ' ' ILE . 5.7 ttm105 -49.71 -54.8 16.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -54.92 -40.8 70.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.343 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.8 HD13 ' HB2' ' A' ' 9' ' ' GLN . 37.3 mt -55.49 -63.91 1.02 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.623 ' HA ' HD11 ' A' ' 13' ' ' ILE . 80.8 mt -40.5 -62.04 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -54.75 -34.67 62.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -66.0 -45.57 81.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.309 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.447 HG23 ' HG3' ' A' ' 52' ' ' LYS . 8.0 m -67.07 -61.28 2.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.418 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.501 HD12 HG21 ' A' ' 59' ' ' VAL . 36.3 mt -51.1 -24.92 4.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.4 -42.7 54.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.989 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.462 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 39.4 p-90 -111.45 -31.64 6.97 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.581 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -61.95 -44.89 95.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.581 ' CD1' ' HB3' ' A' ' 52' ' ' LYS . 77.8 m-85 -146.4 77.28 11.69 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.985 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -49.43 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.536 1.808 . . . . 0.0 111.012 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.94 122.75 38.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 144.57 -34.36 1.6 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.119 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.667 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.1 pp -131.16 165.17 32.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.471 0.748 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.606 ' HB2' HG21 ' A' ' 76' ' ' VAL . 2.5 t-80 -130.18 110.83 11.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.576 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.501 HG21 HD12 ' A' ' 49' ' ' LEU . 59.2 t -87.69 133.68 29.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -142.22 139.59 32.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.559 ' C ' HD22 ' A' ' 62' ' ' LEU . 2.3 m -109.58 126.11 53.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.42 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.922 ' N ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -126.65 149.88 49.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -112.3 132.24 55.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.421 ' OG1' ' N ' ' A' ' 68' ' ' GLU . 41.8 p -113.53 -148.09 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.447 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.93 -63.81 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.59 -36.5 10.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -70.63 -25.41 63.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.421 ' N ' ' OG1' ' A' ' 64' ' ' THR . 1.1 mt-10 45.49 -163.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.4 117.12 2.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.481 ' CE1' ' CG2' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -139.44 145.65 39.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.593 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.679 HD11 ' HG2' ' A' ' 42' ' ' ARG . 35.2 mt -80.86 143.27 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.481 ' CG2' ' CE1' ' A' ' 70' ' ' HIS . 3.8 t -138.17 140.61 39.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.592 ' N ' HD12 ' A' ' 73' ' ' ILE . 3.7 mp -112.21 141.24 28.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -126.68 156.96 40.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.015 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.33 126.0 31.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.606 HG21 ' HB2' ' A' ' 58' ' ' HIS . 96.0 t -125.83 162.82 28.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.455 ' N ' HG12 ' A' ' 76' ' ' VAL . 22.6 t70 -151.06 156.3 40.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.44 -56.71 6.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.08 -59.58 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.272 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -43.34 -66.81 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.58 146.9 15.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.24 -48.69 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.951 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -43.36 111.58 0.42 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.454 1.096 . . . . 0.0 110.976 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 100.0 1.31 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.486 1.782 . . . . 0.0 111.042 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.36 -36.49 81.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.997 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.3 -60.45 3.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.968 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 -179.998 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.5 p -102.56 165.31 11.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 0.778 . . . . 0.0 110.026 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.02 -67.28 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.035 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.46 -58.68 12.14 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.7 t -43.34 -61.83 1.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.763 . . . . 0.0 109.991 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.6 m -51.55 -52.03 50.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.993 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -41.37 -50.96 4.58 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.1 -51.29 18.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 0.777 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -73.47 -28.51 61.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.449 ' O ' HG22 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -67.18 -41.58 85.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.4 mmtp -67.17 -49.85 63.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.568 ' CE1' ' OE1' ' A' ' 41' ' ' GLN . 13.1 t80 -55.32 -57.16 12.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.605 HD11 ' HA ' ' A' ' 45' ' ' ILE . 4.7 tp -54.2 -44.06 63.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.44 -55.42 31.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -46.48 -38.26 8.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 12' ' ' PHE . 59.9 t -68.45 -47.8 75.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.3 mm -42.32 -49.5 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -50.41 -50.95 50.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -58.53 -45.86 87.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.638 HG22 ' CD1' ' A' ' 24' ' ' LEU . 84.0 mt -57.97 -64.64 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' ILE . 2.7 mt-10 -37.1 -59.13 0.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.328 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.84 -55.91 14.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.779 ' HB2' HD13 ' A' ' 32' ' ' LEU . 1.5 t80 -52.56 -38.74 60.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.638 ' CD1' HG22 ' A' ' 20' ' ' ILE . 25.0 mt -72.2 -33.42 67.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -63.52 -51.76 64.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.414 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 1.2 t -54.42 142.17 28.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.007 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -92.7 -38.35 11.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 29' ' ' LYS . 5.5 tt0 -66.37 -46.78 75.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.414 ' CG ' ' HB3' ' A' ' 26' ' ' SER . 26.0 mttt -39.93 133.12 1.68 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.244 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.15 -38.17 3.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.1 128.31 16.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.048 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.779 HD13 ' HB2' ' A' ' 23' ' ' PHE . 22.8 tp -96.8 149.31 21.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.41 ' HG2' HG22 ' A' ' 72' ' ' VAL . 53.0 mt-10 -121.57 126.36 48.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.448 HD12 HD11 ' A' ' 73' ' ' ILE . 31.3 mt -103.3 176.43 5.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -75.1 156.39 85.95 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 113.13 3.72 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.472 1.775 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.5 m -75.45 162.98 27.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 108.292 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.8 t -93.96 -25.92 17.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.398 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 162.08 -82.66 0.12 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 0.0 110.962 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -44.74 -57.62 3.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 110.992 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.695 ' HA ' HD12 ' A' ' 44' ' ' LEU . 74.8 mm-40 -45.53 -55.38 6.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.941 ' HG3' HD11 ' A' ' 71' ' ' ILE . 1.8 ttt180 -43.69 -46.67 7.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -61.91 -37.67 85.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.695 HD12 ' HA ' ' A' ' 41' ' ' GLN . 41.3 mt -58.91 -58.82 6.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.251 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.605 ' HA ' HD11 ' A' ' 13' ' ' ILE . 95.3 mt -45.42 -60.5 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.447 ' CE1' ' CG1' ' A' ' 59' ' ' VAL . 19.2 m-85 -51.92 -52.84 47.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.8 OUTLIER -47.25 -54.72 10.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.593 HG23 ' HG3' ' A' ' 52' ' ' LYS . 4.7 m -57.21 -67.76 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.393 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.434 HD21 ' CD1' ' A' ' 20' ' ' ILE . 74.2 mt -46.09 -25.65 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.6 OUTLIER -54.16 -40.65 67.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.019 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.469 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 44.3 p-90 -110.94 -32.38 6.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 107.969 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.593 ' HG3' HG23 ' A' ' 48' ' ' THR . 0.1 OUTLIER -61.05 -33.47 73.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.277 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.574 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 53.4 m-85 -161.86 83.96 1.71 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -36.21 2.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.476 1.777 . . . . 0.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.18 108.61 6.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 173.35 -45.16 0.16 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.483 HD11 ' CB ' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -127.65 -176.91 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 109.346 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.548 ' CD2' ' OE1' ' A' ' 60' ' ' GLU . 1.6 t60 -136.58 116.06 12.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.644 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.447 ' CG1' ' CE1' ' A' ' 46' ' ' TYR . 37.3 t -90.79 133.99 30.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.269 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.548 ' OE1' ' CD2' ' A' ' 58' ' ' HIS . 8.6 pt-20 -140.74 153.71 46.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.263 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.404 HG21 ' NH1' ' A' ' 42' ' ' ARG . 7.5 m -110.68 104.24 12.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 110.395 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.451 HD12 HG21 ' A' ' 72' ' ' VAL . 13.3 mt -106.35 156.96 17.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -124.78 140.29 53.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.44 ' HB ' ' CG ' ' A' ' 66' ' ' LYS . 12.2 p -129.09 143.39 50.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.398 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -57.89 -33.33 68.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.44 ' CG ' ' HB ' ' A' ' 64' ' ' THR . 0.2 OUTLIER -46.2 -74.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.533 ' O ' ' CB ' ' A' ' 68' ' ' GLU . 0.9 OUTLIER -107.2 -69.61 0.83 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.533 ' CB ' ' O ' ' A' ' 67' ' ' LYS . 0.4 OUTLIER 158.3 -165.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.325 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 68' ' ' GLU . 0.9 OUTLIER -37.58 149.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.267 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.58 ' CE1' ' CG2' ' A' ' 72' ' ' VAL . 3.9 p-80 -167.23 145.74 4.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.582 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.941 HD11 ' HG3' ' A' ' 42' ' ' ARG . 28.3 mt -74.38 141.03 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.58 ' CG2' ' CE1' ' A' ' 70' ' ' HIS . 3.9 t -138.86 137.16 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.448 HD11 HD12 ' A' ' 34' ' ' LEU . 3.8 mp -109.54 152.54 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.72 159.42 41.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -81.1 126.56 31.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 77' ' ' ASP . 92.9 t -127.47 163.28 31.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.46 ' N ' HG12 ' A' ' 76' ' ' VAL . 26.3 t0 -159.11 153.2 23.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.33 -62.6 1.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -40.42 -59.22 1.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -46.93 -59.02 3.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -51.18 114.4 1.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 78.0 p -59.66 -34.04 72.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.969 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 128.38 -144.38 15.22 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 164.61 32.95 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.491 1.785 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.9 m -53.95 -63.57 1.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.54 -62.22 0.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.51 101.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.763 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.35 151.43 2.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.029 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.59 -53.16 43.3 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 8' ' ' ASP . 0.6 OUTLIER -43.53 -61.72 1.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 0.78 . . . . 0.0 110.01 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -40.32 -56.67 1.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.953 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -43.31 -38.48 3.79 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.13 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 5' ' ' SER . 1.1 m-20 -52.29 -44.16 64.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.591 ' HB3' HD13 ' A' ' 44' ' ' LEU . 13.4 mm-40 -90.75 -26.12 19.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.2 -35.3 78.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -78.03 -40.51 38.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.861 ' O ' HG23 ' A' ' 16' ' ' VAL . 1.3 t80 -65.08 -40.02 94.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.622 HD11 ' HA ' ' A' ' 45' ' ' ILE . 6.2 tp -71.01 -48.74 54.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -54.54 -43.96 72.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.176 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -61.48 -37.18 82.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.267 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 12' ' ' PHE . 94.8 t -68.56 -50.92 51.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 20' ' ' ILE . 4.4 mt -47.74 -50.08 9.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -45.2 -47.08 12.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -62.18 -34.19 75.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.595 HG22 HD11 ' A' ' 24' ' ' LEU . 65.5 mt -71.17 -60.53 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.429 ' HA ' HD12 ' A' ' 24' ' ' LEU . 1.9 mm-40 -38.12 -51.46 1.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -57.96 -50.33 73.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.74 ' HB2' HD13 ' A' ' 32' ' ' LEU . 1.4 t80 -58.0 -30.97 66.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.595 HD11 HG22 ' A' ' 20' ' ' ILE . 16.7 mt -77.38 -35.24 54.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -60.21 -52.37 65.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.406 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -57.3 148.07 23.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.017 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -92.36 -63.56 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -42.64 -45.71 4.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.246 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.406 ' CG ' ' HB3' ' A' ' 26' ' ' SER . 68.0 mttt -41.77 134.79 2.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.91 -37.64 3.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.02 155.08 42.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.982 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.74 HD13 ' HB2' ' A' ' 23' ' ' PHE . 22.2 tp -118.61 155.33 31.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -123.67 123.92 41.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 27.3 mt -102.99 167.2 9.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.3 p-10 -67.08 150.75 97.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 101.23 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 64.7 m -70.82 178.86 2.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 108.268 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.9 p -92.76 -55.83 3.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.372 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -177.26 -50.96 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.462 ' O ' ' CG ' ' A' ' 43' ' ' LYS . 9.1 t80 -65.62 -64.09 0.94 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 0.77 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.714 ' HA ' HD12 ' A' ' 44' ' ' LEU . 1.6 mt-30 -51.83 -26.16 9.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.653 ' HG2' HD11 ' A' ' 71' ' ' ILE . 1.6 ttm180 -67.37 -47.94 68.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.322 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 40' ' ' PHE . 6.8 ptpt -62.62 -29.37 70.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.714 HD12 ' HA ' ' A' ' 41' ' ' GLN . 64.4 mt -63.05 -52.8 61.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.622 ' HA ' HD11 ' A' ' 13' ' ' ILE . 53.8 mt -53.33 -51.42 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.618 ' CE1' ' CG1' ' A' ' 59' ' ' VAL . 33.9 m-85 -63.56 -34.14 77.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 111.061 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.41 ' O ' ' HB3' ' A' ' 50' ' ' SER . 2.3 tt0 -67.93 -42.6 80.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.519 HG23 ' HG3' ' A' ' 52' ' ' LYS . 16.1 m -68.67 -70.79 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.8 mt -42.97 -31.74 0.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.41 ' HB3' ' O ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -48.45 -41.48 29.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.044 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.569 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 54.6 p-90 -110.68 -32.65 6.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 108.002 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.575 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -61.14 -42.97 99.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.575 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 79.5 m-85 -153.39 80.37 5.25 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -57.54 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.53 1.805 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.26 103.02 12.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 173.75 -50.59 0.15 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.117 . . . . 0.0 111.06 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.554 HG21 HD21 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -127.88 -177.04 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 0.773 . . . . 0.0 109.333 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.487 ' C ' ' CD2' ' A' ' 58' ' ' HIS . 0.9 OUTLIER -139.35 121.71 16.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.607 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.618 ' CG1' ' CE1' ' A' ' 46' ' ' TYR . 36.7 t -93.51 132.8 36.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.42 ' HB3' ' NE2' ' A' ' 58' ' ' HIS . 0.5 OUTLIER -144.35 142.65 30.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 110.327 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.425 ' HG1' ' HH ' ' A' ' 46' ' ' TYR . 53.8 m -93.72 104.75 16.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.423 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.715 HD12 HG21 ' A' ' 72' ' ' VAL . 84.9 mt -95.4 136.71 35.42 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.542 1.152 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -123.73 128.19 49.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 65' ' ' ASP . 3.7 p -125.01 -140.78 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.403 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.437 ' N ' ' OG1' ' A' ' 64' ' ' THR . 0.4 OUTLIER -91.61 -63.58 1.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -95.68 -37.59 10.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -47.68 80.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 62.18 173.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.515 ' O ' ' CG ' ' A' ' 69' ' ' ARG . 18.5 ptt180 -50.56 99.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.549 ' CE1' ' CG2' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -127.67 141.34 51.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.602 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.653 HD11 ' HG2' ' A' ' 42' ' ' ARG . 35.7 mt -63.81 134.17 28.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.715 HG21 HD12 ' A' ' 62' ' ' LEU . 2.6 t -133.28 143.23 39.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.637 ' N ' HD12 ' A' ' 73' ' ' ILE . 3.9 mp -112.97 151.12 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.29 157.74 46.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.012 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -78.62 123.1 26.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.494 HG12 ' N ' ' A' ' 77' ' ' ASP . 95.8 t -125.96 164.94 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.494 ' N ' HG12 ' A' ' 76' ' ' VAL . 29.5 t70 -148.17 164.14 34.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.77 -54.49 38.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.22 -62.69 1.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -39.05 -68.23 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -62.72 127.35 30.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.259 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.3 t -72.91 -45.87 55.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.031 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 88.83 154.17 28.24 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 157.76 42.49 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.543 1.812 . . . . 0.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.67 -56.81 2.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 110.037 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.5 m -60.1 -55.07 38.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.026 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.58 1.175 . . . . 0.0 111.015 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m 48.36 77.94 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 109.964 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.36 118.83 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.982 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.28 -54.37 23.93 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.52 -44.6 8.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 0.79 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -69.21 -55.98 8.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.022 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -42.31 -41.39 3.93 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -51.51 -61.02 2.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.75 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.642 ' HB3' HD13 ' A' ' 44' ' ' LEU . 22.9 mt-30 -70.36 -28.43 65.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -29.37 64.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.4 mtmt -81.87 -46.47 14.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.855 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.9 OUTLIER -58.9 -38.58 79.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.716 HG12 HG21 ' A' ' 48' ' ' THR . 6.5 tp -71.46 -49.4 47.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.253 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.416 ' N ' HG23 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -53.5 -43.07 67.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -63.02 -37.11 85.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.855 HG23 ' O ' ' A' ' 12' ' ' PHE . 93.2 t -68.93 -51.08 48.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.422 HD12 ' O ' ' A' ' 13' ' ' ILE . 4.1 mt -46.68 -47.33 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -47.8 -48.58 30.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -57.32 -38.76 74.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.449 HG22 ' CD1' ' A' ' 24' ' ' LEU . 47.8 mt -68.65 -45.74 80.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -51.17 -61.08 2.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -48.51 -46.42 38.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.834 ' HB2' HD13 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -60.16 -41.88 93.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.521 HD21 HG21 ' A' ' 57' ' ' ILE . 26.6 mt -65.9 -38.22 88.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -59.89 -42.45 93.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.29 145.92 54.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.035 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.24 -56.89 2.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 29' ' ' LYS . 1.4 mt-10 -49.59 -51.5 36.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 28' ' ' GLU . 22.9 mttp -40.12 133.25 1.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.59 -35.66 3.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.21 137.95 24.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.985 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.834 HD13 ' HB2' ' A' ' 23' ' ' PHE . 15.4 tp -103.77 157.0 17.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -126.58 125.81 42.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 34' ' ' LEU . 23.4 mt -100.96 163.87 12.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.092 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.88 152.99 91.15 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 120.55 6.12 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.515 1.797 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.9 m -90.11 162.79 15.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 108.286 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.1 t -70.68 -36.65 73.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 163.64 -74.56 0.18 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.541 1.151 . . . . 0.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -42.19 -53.4 4.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 0.763 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.468 ' HG2' ' CE2' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -55.71 -54.04 49.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.8 ' HG2' HD11 ' A' ' 71' ' ' ILE . 0.5 OUTLIER -38.77 -46.06 1.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -63.7 -47.62 80.43 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.642 HD13 ' HB3' ' A' ' 9' ' ' GLN . 64.1 mt -46.63 -48.0 19.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.643 ' HA ' HD11 ' A' ' 13' ' ' ILE . 96.0 mt -56.26 -58.44 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.414 ' HH ' ' HG1' ' A' ' 61' ' ' THR . 22.8 m-85 -54.24 -62.82 1.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.948 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.492 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.7 OUTLIER -41.82 -53.04 3.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.716 HG21 HG12 ' A' ' 13' ' ' ILE . 3.7 m -57.14 -69.05 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.397 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.6 mt -46.76 -25.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.4 OUTLIER -54.38 -40.91 68.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.069 . . . . 0.0 109.993 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 44.7 p-90 -110.28 -30.55 7.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 108.004 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.544 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -64.54 -39.17 93.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.604 ' O ' HD11 ' A' ' 57' ' ' ILE . 87.6 m-85 -151.92 79.42 6.38 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -51.66 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.578 1.831 . . . . 0.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.08 114.56 21.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.73 -32.84 0.75 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.956 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.604 HD11 ' O ' ' A' ' 53' ' ' TYR . 1.4 pp -133.57 165.62 31.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.475 0.75 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.535 ' HB2' HG21 ' A' ' 76' ' ' VAL . 4.3 t60 -129.99 108.47 10.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.572 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.609 HG22 HG13 ' A' ' 73' ' ' ILE . 30.8 t -92.85 131.36 40.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.99 ' OE2' HD11 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -138.27 165.26 27.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.414 ' HG1' ' HH ' ' A' ' 46' ' ' TYR . 1.6 m -117.93 127.27 53.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.41 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.99 HD11 ' OE2' ' A' ' 60' ' ' GLU . 1.3 mt -128.41 142.77 51.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.36 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.83 133.59 55.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 30.2 p -117.59 -145.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.381 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.58 -63.82 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -96.74 -36.53 10.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 109.333 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.445 ' O ' ' CG ' ' A' ' 68' ' ' GLU . 1.4 mmtp -67.66 -23.7 65.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.445 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 7.6 pt-20 46.21 -158.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.75 111.08 2.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.551 ' CE1' HG23 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -128.95 147.95 50.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.612 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.8 HD11 ' HG2' ' A' ' 42' ' ' ARG . 33.6 mt -81.35 135.97 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.551 HG23 ' CE1' ' A' ' 70' ' ' HIS . 2.1 t -137.08 141.0 41.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.609 HG13 HG22 ' A' ' 59' ' ' VAL . 4.0 mp -112.71 157.13 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.65 161.51 35.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -83.01 124.2 30.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.582 1.176 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.545 HG12 ' N ' ' A' ' 77' ' ' ASP . 86.9 t -123.68 167.94 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.545 ' N ' HG12 ' A' ' 76' ' ' VAL . 31.5 t70 -146.14 153.52 40.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -62.07 -64.15 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.269 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 78' ' ' GLU . 7.0 mm-40 -38.71 -62.78 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -38.76 -69.58 0.12 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.46 134.02 40.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.94 -49.59 19.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.949 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 60.33 -166.67 10.89 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.532 1.145 . . . . 0.0 110.959 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 178.26 7.48 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.514 1.797 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.2 m -85.84 -58.92 2.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.001 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.2 t -46.08 -58.84 3.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.976 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.704 ' HB2' HD13 ' A' ' 44' ' ' LEU . 14.0 pt20 -76.27 -13.04 60.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 110.344 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.83 -43.34 72.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -69.5 -39.71 77.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.424 ' O ' HG23 ' A' ' 16' ' ' VAL . 7.7 t80 -64.57 -53.68 44.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 111.043 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.592 HD11 ' HA ' ' A' ' 45' ' ' ILE . 6.3 tp -57.79 -48.35 83.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -51.69 -52.52 47.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -50.32 -38.48 41.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 12' ' ' PHE . 93.8 t -67.86 -49.99 63.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' VAL . 6.8 mm -40.45 -56.31 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -42.2 -52.74 4.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -54.2 -44.79 71.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.7 mt -60.45 -56.91 14.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -44.38 -57.37 3.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.57 -52.48 46.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.636 ' HB2' HD13 ' A' ' 32' ' ' LEU . 1.0 OUTLIER -55.07 -39.97 69.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.961 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.3 mt -67.77 -38.52 83.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -58.54 -59.06 5.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 110.324 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.407 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -49.29 146.25 3.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -92.2 -59.92 1.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.319 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.6 -48.31 19.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.233 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.407 ' CG ' ' HB3' ' A' ' 26' ' ' SER . 23.7 mttt -40.31 126.21 2.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.67 -34.15 5.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 110.331 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.35 136.5 23.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.057 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.636 HD13 ' HB2' ' A' ' 23' ' ' PHE . 30.2 tp -102.8 153.46 20.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -124.28 118.82 27.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.2 mt -95.94 174.63 6.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.262 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -77.78 152.1 80.07 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 113.63 3.84 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.478 1.778 . . . . 0.0 111.013 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 53.3 m -72.96 165.2 25.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 108.3 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.412 HG22 ' H ' ' A' ' 38' ' ' THR . 1.2 t -87.39 -32.59 19.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.415 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 169.03 -78.17 0.1 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.441 1.088 . . . . 0.0 111.051 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -49.76 -62.87 1.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.755 . . . . 0.0 110.986 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.611 ' HA ' HD12 ' A' ' 44' ' ' LEU . 31.7 mt-30 -43.73 -48.43 7.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -47.61 -51.57 20.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 110.273 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -58.11 -39.8 79.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.704 HD13 ' HB2' ' A' ' 9' ' ' GLN . 46.2 mt -55.53 -60.27 3.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.592 ' HA ' HD11 ' A' ' 13' ' ' ILE . 81.9 mt -42.8 -62.34 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -52.1 -43.24 63.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 110.962 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -57.49 -53.14 61.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.458 HG23 ' HG3' ' A' ' 52' ' ' LYS . 4.3 m -59.31 -62.19 2.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.083 . . . . 0.0 110.379 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.454 HD22 ' CD2' ' A' ' 53' ' ' TYR . 50.5 mt -50.42 -22.92 2.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 1.3 t -54.46 -42.06 70.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.447 1.092 . . . . 0.0 110.023 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 38.1 p-90 -110.57 -31.7 7.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 108.002 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.568 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -60.33 -39.28 86.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.568 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 48.9 m-85 -152.69 79.42 5.89 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -48.97 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.496 1.788 . . . . 0.0 110.938 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.53 121.1 33.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 146.99 -37.14 1.18 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.556 1.16 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.663 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.2 pp -128.92 165.35 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 0.761 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.601 ' HE2' ' CD ' ' A' ' 60' ' ' GLU . 1.6 t60 -128.52 111.78 13.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.586 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.5 t -88.85 132.13 34.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.601 ' CD ' ' HE2' ' A' ' 58' ' ' HIS . 6.1 pt-20 -142.75 149.39 38.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 110.404 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.43 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 65.1 mt -69.9 138.32 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.0 t -138.21 134.47 44.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.6 mp -108.44 155.19 9.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.75 162.37 33.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.979 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.564 ' HE3' ' CE1' ' A' ' 23' ' ' PHE . 0.6 OUTLIER -84.6 122.02 28.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.455 HG21 ' HB2' ' A' ' 58' ' ' HIS . 95.3 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.625 ' CB ' HD13 ' A' ' 44' ' ' LEU . 8.3 pt20 -65.3 -23.79 67.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.41 -43.43 83.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -66.78 -44.44 81.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.588 ' CD1' ' OE1' ' A' ' 41' ' ' GLN . 12.5 t80 -62.86 -56.33 18.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.606 HD11 ' HA ' ' A' ' 45' ' ' ILE . 4.9 tp -55.51 -54.18 28.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.498 ' N ' HG23 ' A' ' 13' ' ' ILE . 48.1 t0 -45.2 -54.12 7.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -49.17 -40.33 32.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 19' ' ' LYS . 90.1 t -68.1 -48.48 74.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.9 mm -41.5 -45.13 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -52.96 -44.24 66.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 16' ' ' VAL . 53.4 mttm -59.24 -47.97 83.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.438 HG22 ' CD1' ' A' ' 24' ' ' LEU . 5.7 mt -59.98 -59.92 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -45.22 -60.23 2.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -51.28 -49.86 60.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.546 ' CB ' HD22 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -56.3 -38.39 71.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 111.049 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.438 ' CD1' HG22 ' A' ' 20' ' ' ILE . 23.4 mt -70.1 -37.97 75.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -58.34 -47.95 82.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.428 ' CB ' ' HD2' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -61.31 145.62 50.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.023 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -92.42 -58.71 2.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -47.0 -40.07 13.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.428 ' HD2' ' CB ' ' A' ' 26' ' ' SER . 16.9 mttm -53.34 126.93 22.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.56 -34.2 4.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.98 129.75 17.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.954 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.546 HD22 ' CB ' ' A' ' 23' ' ' PHE . 30.9 tp -97.2 152.4 18.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -124.99 123.41 39.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 34' ' ' LEU . 20.4 mt -98.49 175.99 5.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -88.96 151.9 47.71 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 121.23 6.44 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.517 1.798 . . . . 0.0 111.041 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.2 m -87.08 178.31 6.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 108.329 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.0 p -84.7 -23.37 29.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.438 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 148.07 -66.9 0.39 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -43.17 -63.6 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 0.793 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.588 ' OE1' ' CD1' ' A' ' 12' ' ' PHE . 29.3 mm-40 -50.86 -45.54 59.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -44.49 -47.6 10.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -35.36 79.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.625 HD13 ' CB ' ' A' ' 9' ' ' GLN . 38.2 mt -61.33 -42.89 99.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.606 ' HA ' HD11 ' A' ' 13' ' ' ILE . 88.3 mt -60.6 -49.97 82.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -60.81 -49.9 75.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.5 ' O ' ' CB ' ' A' ' 50' ' ' SER . 1.4 mm-40 -49.59 -53.45 23.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.55 HG23 ' HG3' ' A' ' 52' ' ' LYS . 2.9 m -58.22 -66.49 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.392 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 78.5 mt -48.2 -24.37 1.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.9 OUTLIER -52.9 -43.19 66.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.01 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.569 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 51.2 p-90 -110.53 -31.94 7.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 108.026 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.569 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -58.77 -53.31 59.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.576 ' O ' HD11 ' A' ' 57' ' ' ILE . 88.0 m-85 -139.94 75.93 29.1 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -43.36 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.772 . . . . 0.0 111.019 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.17 120.38 24.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 147.06 -34.47 1.31 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.598 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.3 pp -129.23 164.51 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.758 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.533 ' HE2' ' CD ' ' A' ' 60' ' ' GLU . 2.2 t60 -125.91 112.42 15.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.619 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.8 t -94.39 133.96 33.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.533 ' CD ' ' HE2' ' A' ' 58' ' ' HIS . 4.1 pt-20 -143.31 146.0 33.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.45 179.945 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.445 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 13.7 mt -70.42 133.55 31.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.419 ' CG2' ' NE2' ' A' ' 70' ' ' HIS . 3.0 t -130.59 136.94 57.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 73' ' ' ILE . 4.3 mp -111.74 153.24 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.8 161.24 36.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.99 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -83.52 124.89 31.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.523 HG21 ' HB2' ' A' ' 58' ' ' HIS . 92.9 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.8 t0 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -80.51 -14.0 58.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.82 -47.81 10.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -35.39 80.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -68.87 -55.21 11.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.619 HD11 ' HA ' ' A' ' 45' ' ' ILE . 4.9 tp -56.7 -48.37 80.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -51.03 -54.45 24.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -48.02 -40.68 23.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.498 HG12 HD11 ' A' ' 20' ' ' ILE . 93.8 t -65.88 -50.02 73.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.547 ' HA ' HD12 ' A' ' 20' ' ' ILE . 7.2 mm -40.18 -52.99 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -50.31 -53.03 31.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -52.6 -38.74 60.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 17' ' ' ILE . 11.5 mt -68.09 -62.74 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -42.63 -57.77 2.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.08 -52.59 50.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.482 ' CB ' HD22 ' A' ' 32' ' ' LEU . 1.4 t80 -54.83 -38.91 67.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.594 HD21 HG21 ' A' ' 57' ' ' ILE . 24.1 mt -69.98 -38.75 76.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -59.41 -43.08 93.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.411 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -62.39 146.26 51.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.591 1.182 . . . . 0.0 110.026 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -92.28 -63.64 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 29' ' ' LYS . 1.4 tm-20 -43.38 -48.02 6.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.268 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.411 ' CG ' ' HB3' ' A' ' 26' ' ' SER . 18.2 mttp -40.52 131.22 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.94 -36.72 3.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.99 136.62 24.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.482 HD22 ' CB ' ' A' ' 23' ' ' PHE . 32.9 tp -103.5 151.39 22.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -124.41 119.0 27.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.286 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.45 HD12 HD11 ' A' ' 73' ' ' ILE . 32.3 mt -97.22 174.03 6.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -73.22 147.0 87.56 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 104.65 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.463 1.77 . . . . 0.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.1 m -63.86 167.79 5.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 108.307 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.6 t -94.25 -14.1 25.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.39 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 152.41 -73.15 0.27 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -57.94 -61.31 2.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 0.733 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.847 ' HA ' HD12 ' A' ' 44' ' ' LEU . 30.6 mm100 -44.77 -29.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.971 ' HG3' HD11 ' A' ' 71' ' ' ILE . 1.4 tpp85 -67.7 -52.19 40.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -58.33 -28.11 64.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.847 HD12 ' HA ' ' A' ' 41' ' ' GLN . 58.1 mt -65.34 -52.18 55.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.619 ' HA ' HD11 ' A' ' 13' ' ' ILE . 94.8 mt -54.96 -52.47 43.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -56.83 -49.06 76.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.5 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -52.7 -53.37 48.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.408 HG21 HG12 ' A' ' 13' ' ' ILE . 17.0 m -58.59 -61.83 2.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 110.36 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.469 HD21 HD13 ' A' ' 20' ' ' ILE . 81.2 mt -52.85 -21.17 3.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 1.0 OUTLIER -56.14 -40.92 74.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.979 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 36.1 p-90 -110.85 -32.02 6.98 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.565 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -61.61 -29.79 70.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.358 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.565 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 66.4 m-85 -160.22 83.21 2.16 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -41.09 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.23 112.04 7.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 163.1 -36.75 0.33 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.652 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.2 pp -127.66 166.12 25.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 0.778 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.544 ' HE2' ' CD ' ' A' ' 60' ' ' GLU . 1.7 t60 -128.76 114.59 16.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.613 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.0 t -93.32 136.18 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.544 ' CD ' ' HE2' ' A' ' 58' ' ' HIS . 4.4 pt-20 -144.57 146.01 32.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.1 m . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.371 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.442 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.971 HD11 ' HG3' ' A' ' 42' ' ' ARG . 30.4 mt -70.97 136.5 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.414 ' CG2' ' NE2' ' A' ' 70' ' ' HIS . 4.1 t -134.19 136.5 53.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.45 HD11 HD12 ' A' ' 34' ' ' LEU . 4.1 mp -110.39 152.48 12.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.74 161.46 35.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.025 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -80.97 125.42 30.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.473 HG21 ' HB2' ' A' ' 58' ' ' HIS . 90.6 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.72 ' HB2' HD13 ' A' ' 44' ' ' LEU . 9.0 pt20 -68.38 -32.28 72.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.259 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -41.99 61.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -70.25 -39.99 74.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -64.59 -54.96 23.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.571 HD11 ' HA ' ' A' ' 45' ' ' ILE . 7.9 tp -55.72 -50.34 68.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.427 ' N ' HG23 ' A' ' 13' ' ' ILE . 0.6 OUTLIER -49.36 -55.67 12.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -46.75 -40.66 13.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.426 HG12 ' CD1' ' A' ' 20' ' ' ILE . 99.1 t -67.32 -48.6 77.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.1 mm -40.85 -49.58 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -52.75 -53.76 43.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -51.29 -41.76 60.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.616 HG22 ' CD1' ' A' ' 24' ' ' LEU . 7.7 mt -64.39 -58.99 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 20' ' ' ILE . 6.0 mm-40 -35.86 -64.92 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.423 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 3.8 t0 -46.85 -59.25 3.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.539 ' CE2' HG22 ' A' ' 73' ' ' ILE . 2.4 t80 -48.88 -22.02 0.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.14 . . . . 0.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.616 ' CD1' HG22 ' A' ' 20' ' ' ILE . 23.1 mt -93.43 -32.74 14.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 22' ' ' ASP . 0.7 OUTLIER -77.47 -12.18 59.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.05 150.59 20.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.991 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.18 -66.67 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -42.53 -51.47 5.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -41.21 125.57 2.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.2 -35.32 4.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.14 126.58 14.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.021 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.514 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 31.6 tp -93.05 149.37 21.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -126.02 117.79 23.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 25.9 mt -94.08 177.32 6.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -83.57 153.18 64.78 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 119.11 5.5 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.494 1.786 . . . . 0.0 111.029 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 58.8 m -88.99 170.77 10.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 108.304 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.1 p -74.82 -51.95 12.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.422 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 176.17 -55.99 0.11 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.555 1.159 . . . . 0.0 110.959 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -54.72 -62.47 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 0.778 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.657 ' HA ' HD12 ' A' ' 44' ' ' LEU . 30.9 mm100 -49.26 -48.24 46.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.761 ' HG3' HD11 ' A' ' 71' ' ' ILE . 30.8 ttp85 -46.78 -46.83 20.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -62.4 -36.78 83.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.72 HD13 ' HB2' ' A' ' 9' ' ' GLN . 44.5 mt -59.26 -52.01 67.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.571 ' HA ' HD11 ' A' ' 13' ' ' ILE . 96.6 mt -51.27 -52.18 20.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -63.65 -34.99 79.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.78 -38.59 86.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.323 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.404 ' C ' ' N ' ' A' ' 50' ' ' SER . 3.3 m -76.4 -65.7 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 110.416 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.1 mt -49.22 -23.75 1.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.404 ' N ' ' C ' ' A' ' 48' ' ' THR . 0.1 OUTLIER -54.3 -41.32 68.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.982 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.43 ' CZ3' ' CG ' ' A' ' 52' ' ' LYS . 47.5 p-90 -110.75 -31.87 7.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 108.006 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.562 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -59.16 -37.24 76.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.103 . . . . 0.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.562 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 66.1 m-85 -155.05 80.8 4.29 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -52.07 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.535 1.808 . . . . 0.0 110.971 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.82 110.36 15.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.47 -35.61 0.43 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.12 . . . . 0.0 111.038 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.622 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.2 pp -131.16 164.94 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.764 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.508 ' HB2' HG21 ' A' ' 76' ' ' VAL . 2.7 t60 -126.47 112.85 16.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.558 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.2 t -92.59 134.72 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.468 ' HB3' ' HE2' ' A' ' 58' ' ' HIS . 1.6 pt-20 -144.68 145.17 31.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.253 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.404 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.413 ' NE2' ' CG2' ' A' ' 72' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.761 HD11 ' HG3' ' A' ' 42' ' ' ARG . 45.6 mt -77.19 138.61 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.413 ' CG2' ' NE2' ' A' ' 70' ' ' HIS . 2.6 t -137.34 137.16 46.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.539 HG22 ' CE2' ' A' ' 23' ' ' PHE . 4.0 mp -108.74 153.22 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.8 159.81 40.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.98 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.439 ' CE ' ' O ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -85.06 123.47 30.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.508 HG21 ' HB2' ' A' ' 58' ' ' HIS . 85.0 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.49 ' OE1' HD22 ' A' ' 44' ' ' LEU . 14.1 pt20 -68.02 -22.2 64.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -44.34 84.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -67.87 -43.59 79.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -62.69 -55.8 23.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.664 HD11 ' HA ' ' A' ' 45' ' ' ILE . 4.9 tp -54.98 -48.67 75.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -51.69 -55.11 21.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -46.62 -38.89 10.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.1 t -69.12 -46.95 77.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.2 mm -43.04 -52.71 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -48.02 -53.96 14.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.265 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -49.47 -44.7 46.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.639 HG22 ' CD1' ' A' ' 24' ' ' LEU . 35.9 mt -64.71 -61.06 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -38.51 -57.18 1.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.32 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -52.14 -52.52 51.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.629 ' HE2' HG22 ' A' ' 73' ' ' ILE . 2.6 t80 -58.46 -26.3 63.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.639 ' CD1' HG22 ' A' ' 20' ' ' ILE . 38.7 mt -85.26 -14.41 46.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -95.18 -15.58 23.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.27 117.63 23.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.999 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -69.7 -36.27 75.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 110.245 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.18 -55.02 7.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.123 . . . . 0.0 110.256 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -47.15 131.39 12.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -113.1 -26.68 8.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 110.275 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.26 158.6 43.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.542 ' O ' HG13 ' A' ' 72' ' ' VAL . 40.4 tp -122.04 161.82 22.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -132.88 118.44 18.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 34' ' ' LEU . 22.9 mt -97.07 163.87 12.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.94 149.19 92.39 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 99.81 1.29 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.424 1.749 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 58.7 m -65.52 -179.05 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 108.301 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 43.4 p -88.75 -51.37 5.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.392 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -178.8 -61.66 0.07 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.531 1.145 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.468 ' O ' ' CG ' ' A' ' 43' ' ' LYS . 24.0 t80 -58.7 -64.31 0.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 0.733 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.697 ' HA ' HD12 ' A' ' 44' ' ' LEU . 35.7 mt-30 -48.2 -28.02 2.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.436 ' CG ' HD11 ' A' ' 71' ' ' ILE . 15.8 ttp180 -65.35 -50.2 66.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 40' ' ' PHE . 5.5 ptpt -60.55 -29.01 68.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' ' 41' ' ' GLN . 49.3 mt -65.5 -47.59 75.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.664 ' HA ' HD11 ' A' ' 13' ' ' ILE . 96.6 mt -56.53 -48.16 80.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -64.15 -53.8 43.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.969 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.505 ' O ' ' CB ' ' A' ' 50' ' ' SER . 2.1 mt-30 -49.38 -52.01 31.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.346 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.473 HG21 HG12 ' A' ' 13' ' ' ILE . 10.3 m -57.12 -67.37 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.397 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.428 HD21 ' CD1' ' A' ' 20' ' ' ILE . 82.1 mt -48.72 -24.11 1.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.5 OUTLIER -54.22 -41.08 68.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.994 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.403 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 41.9 p-90 -110.64 -31.87 7.08 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.575 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -61.38 -33.99 74.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.575 ' CD1' ' HB3' ' A' ' 52' ' ' LYS . 80.5 m-85 -154.91 81.01 4.31 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -37.61 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.486 1.782 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -137.56 117.53 13.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 152.4 -36.34 0.81 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.118 . . . . 0.0 111.007 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.704 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.1 pp -130.79 164.09 34.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.361 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.534 ' HB2' HG21 ' A' ' 76' ' ' VAL . 5.7 t60 -130.42 104.84 7.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.557 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.0 t -77.0 124.8 36.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.35 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -132.77 149.34 52.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.354 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.459 ' NE2' ' CG2' ' A' ' 72' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.436 HD11 ' CG ' ' A' ' 42' ' ' ARG . 39.1 mt -76.94 142.73 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.646 ' C ' HD12 ' A' ' 73' ' ' ILE . 9.1 t -138.38 137.85 43.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.763 ' N ' HD12 ' A' ' 73' ' ' ILE . 2.2 mp -111.58 113.34 43.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.3 t -97.77 153.06 18.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.997 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.465 ' HG3' ' CZ ' ' A' ' 23' ' ' PHE . 10.8 mtpt -76.73 129.85 36.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.534 HG21 ' HB2' ' A' ' 58' ' ' HIS . 52.6 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.353 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.568 ' HB3' HD13 ' A' ' 44' ' ' LEU . 19.7 mm-40 -77.0 -29.29 55.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.472 ' O ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -60.25 -46.36 90.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.86 -48.01 78.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.562 ' CD1' ' OE1' ' A' ' 41' ' ' GLN . 26.5 t80 -57.49 -61.95 2.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 111.042 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.625 HD11 ' HA ' ' A' ' 45' ' ' ILE . 5.1 tp -48.07 -43.33 11.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.4 -53.25 59.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -50.53 -23.45 2.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 12' ' ' PHE . 89.5 t -84.52 -43.52 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.437 ' HA ' HD12 ' A' ' 20' ' ' ILE . 7.3 mm -47.58 -58.43 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -43.0 -52.91 5.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -52.62 -42.07 64.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.506 HG22 ' CD1' ' A' ' 24' ' ' LEU . 16.5 mt -66.21 -62.8 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -42.96 -49.12 6.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.277 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -56.82 -48.7 77.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.518 ' CG ' ' HB2' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -61.32 -38.64 87.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.506 ' CD1' HG22 ' A' ' 20' ' ' ILE . 21.4 mt -72.67 -21.72 61.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -75.28 -43.41 51.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.0 149.73 46.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.969 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -92.07 -58.16 2.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -47.72 -53.15 15.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -40.91 135.97 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.24 -39.9 3.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -146.3 137.96 24.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.984 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.518 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 15.7 tp -103.36 155.94 18.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -131.46 118.28 19.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.241 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 28.4 mt -89.13 175.73 7.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -81.9 154.69 70.43 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 115.08 4.18 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.525 1.803 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 63.4 m -80.99 167.87 19.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 108.293 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.2 p -75.84 -36.21 59.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.371 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 162.41 -64.63 0.26 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -48.29 -62.93 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.776 ' HA ' HD12 ' A' ' 44' ' ' LEU . 17.1 mm-40 -51.79 -35.58 44.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.474 ' HG2' ' CE2' ' A' ' 46' ' ' TYR . 29.1 ttp180 -53.71 -47.73 70.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.442 ' HG2' ' N ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -67.87 -29.38 68.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.776 HD12 ' HA ' ' A' ' 41' ' ' GLN . 70.4 mt -65.38 -51.61 59.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.625 ' HA ' HD11 ' A' ' 13' ' ' ILE . 95.5 mt -53.3 -47.05 57.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.474 ' CE2' ' HG2' ' A' ' 42' ' ' ARG . 20.7 m-85 -63.91 -55.02 25.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -48.28 -53.17 18.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.495 HG21 HG12 ' A' ' 13' ' ' ILE . 29.9 m -56.59 -67.24 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.418 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.482 HD21 HD13 ' A' ' 20' ' ' ILE . 70.5 mt -48.7 -24.33 1.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.5 OUTLIER -54.83 -39.61 68.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.968 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.41 ' CZ3' ' HG3' ' A' ' 52' ' ' LYS . 42.8 p-90 -110.78 -32.01 7.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 108.018 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.576 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -61.95 -34.24 75.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.576 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 75.2 m-85 -155.56 81.23 3.98 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -45.61 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.64 120.42 25.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 148.95 -34.3 1.12 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.597 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.4 pp -131.66 167.53 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.536 ' HB2' HG21 ' A' ' 76' ' ' VAL . 6.1 t60 -131.27 104.34 6.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.599 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.5 t -78.53 112.91 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.36 150.46 34.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.257 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.455 ' HG1' ' HH ' ' A' ' 46' ' ' TYR . 73.0 m . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.393 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 89.6 mt -70.47 136.11 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.487 ' C ' HD12 ' A' ' 73' ' ' ILE . 19.4 t -131.61 139.28 51.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.663 ' N ' HD12 ' A' ' 73' ' ' ILE . 3.5 mp -112.38 121.24 64.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.4 t -109.03 150.13 28.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.97 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -73.34 129.07 37.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.536 HG21 ' HB2' ' A' ' 58' ' ' HIS . 96.9 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -68.56 -42.3 78.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -32.64 62.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -72.45 -60.23 2.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.572 ' CE2' ' HG2' ' A' ' 41' ' ' GLN . 7.6 t80 -49.62 -53.39 24.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.628 HD11 ' HA ' ' A' ' 45' ' ' ILE . 5.6 tp -55.36 -51.57 55.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.448 ' N ' HG23 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -49.43 -55.86 11.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -45.79 -40.59 9.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 19' ' ' LYS . 92.7 t -68.27 -49.06 70.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.6 mm -40.87 -42.17 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -58.79 -47.35 85.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 16' ' ' VAL . 8.0 mttm -55.91 -39.7 71.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.723 HG22 ' CD1' ' A' ' 24' ' ' LEU . 18.5 mt -70.51 -62.56 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 20' ' ' ILE . 8.1 mm-40 -38.25 -57.73 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.89 -51.82 62.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.517 ' CG ' ' HB2' ' A' ' 32' ' ' LEU . 2.4 t80 -57.09 -27.01 61.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.723 ' CD1' HG22 ' A' ' 20' ' ' ILE . 17.1 mt -86.0 -15.95 39.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -81.26 -35.41 31.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.78 145.2 47.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.981 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.6 -36.04 13.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.26 -48.83 66.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -49.77 129.34 19.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -115.49 -33.85 5.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.339 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.18 129.21 16.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.517 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 32.4 tp -96.55 162.09 13.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -129.08 114.3 16.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 34' ' ' LEU . 18.9 mt -88.71 161.49 16.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -72.97 151.4 90.65 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 109.67 2.97 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.484 1.781 . . . . 0.0 111.049 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 95.0 m -74.18 168.09 20.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 108.272 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.1 p -79.07 -44.84 21.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.38 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -179.43 -62.77 0.07 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.549 1.155 . . . . 0.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.421 ' O ' ' CG ' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -57.19 -66.04 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 0.74 . . . . 0.0 110.976 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.914 ' HA ' HD12 ' A' ' 44' ' ' LEU . 6.2 mp0 -42.42 -43.11 3.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.323 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.74 -51.7 59.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -66.93 -28.96 68.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.914 HD12 ' HA ' ' A' ' 41' ' ' GLN . 67.5 mt -65.07 -53.94 37.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.628 ' HA ' HD11 ' A' ' 13' ' ' ILE . 97.2 mt -50.37 -52.44 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -59.47 -49.87 76.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.435 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.2 OUTLIER -49.85 -52.44 32.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.268 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.427 HG23 ' HG3' ' A' ' 52' ' ' LYS . 3.5 m -61.07 -64.24 1.02 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 110.344 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.534 HD21 HD13 ' A' ' 20' ' ' ILE . 86.6 mt -48.41 -24.24 1.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.4 OUTLIER -54.21 -40.96 68.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 109.98 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.45 ' CZ3' ' CG ' ' A' ' 52' ' ' LYS . 46.1 p-90 -110.99 -32.03 6.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 108.014 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.569 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -57.84 -42.12 83.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.569 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 79.7 m-85 -151.96 79.85 6.22 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -43.04 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.499 1.789 . . . . 0.0 111.004 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.83 108.8 10.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.08 -33.49 0.43 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.468 1.105 . . . . 0.0 110.962 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.609 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.5 pp -133.79 164.07 35.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 0.79 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.444 ' N ' HG23 ' A' ' 76' ' ' VAL . 12.0 t60 -128.28 102.09 6.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.563 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.51 ' CG1' HG23 ' A' ' 71' ' ' ILE . 39.2 t -78.36 111.73 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.419 ' HB3' ' NE2' ' A' ' 58' ' ' HIS . 17.4 pt-20 -114.54 154.17 28.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.1 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.39 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.435 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.597 -0.519 . . . . 0.0 109.597 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.51 HG23 ' CG1' ' A' ' 59' ' ' VAL . 94.9 mt -76.65 143.34 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.264 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.48 ' C ' HD12 ' A' ' 73' ' ' ILE . 3.0 t -138.42 130.38 38.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.79 ' N ' HD12 ' A' ' 73' ' ' ILE . 2.1 mp -102.29 111.98 33.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.9 m -110.99 131.51 54.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -53.56 142.86 21.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.444 HG23 ' N ' ' A' ' 58' ' ' HIS . 91.2 t . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 41.1 t0 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.707 ' HB2' HD13 ' A' ' 44' ' ' LEU . 10.5 pt20 -69.9 -27.02 64.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -53.32 -42.08 66.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -68.5 -39.17 81.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.406 ' CZ ' ' HB3' ' A' ' 41' ' ' GLN . 9.9 t80 -65.7 -55.64 16.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.546 HD11 ' HA ' ' A' ' 45' ' ' ILE . 6.6 tp -55.93 -49.34 75.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.405 ' N ' HG23 ' A' ' 13' ' ' ILE . 11.4 t70 -50.4 -54.78 19.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -47.5 -40.39 18.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.548 HG13 HD21 ' A' ' 34' ' ' LEU . 98.4 t -67.09 -49.6 71.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.532 ' HA ' HD12 ' A' ' 20' ' ' ILE . 7.5 mm -40.68 -49.17 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -52.28 -51.02 60.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -55.51 -38.47 69.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.632 HG22 ' CD1' ' A' ' 24' ' ' LEU . 10.3 mt -66.93 -58.73 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 20' ' ' ILE . 1.2 mt-10 -36.28 -64.83 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 25' ' ' GLN . 10.1 t0 -46.51 -58.98 3.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.807 ' HB2' HD13 ' A' ' 32' ' ' LEU . 1.2 t80 -49.39 -22.17 1.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.632 ' CD1' HG22 ' A' ' 20' ' ' ILE . 23.1 mt -93.65 -28.39 16.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 22' ' ' ASP . 0.6 OUTLIER -83.5 -13.55 54.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -90.42 140.76 29.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.995 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.6 pt-20 -88.81 -37.83 15.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 29' ' ' LYS . 4.0 mt-10 -67.23 -54.84 17.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 28' ' ' GLU . 26.4 mttt -40.16 127.18 2.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -116.39 -33.16 5.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 110.34 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.32 123.34 11.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.993 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.807 HD13 ' HB2' ' A' ' 23' ' ' PHE . 20.5 tp -88.79 147.17 24.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.071 . . . . 0.0 109.354 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -124.42 117.22 23.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.548 HD21 HG13 ' A' ' 16' ' ' VAL . 31.0 mt -96.15 174.82 6.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -83.42 150.03 59.29 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 123.43 7.91 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.525 1.802 . . . . 0.0 110.973 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 87.2 m -90.1 157.1 17.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 108.349 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.9 t -65.85 -25.77 67.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.375 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 151.53 -48.73 0.55 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.111 . . . . 0.0 111.042 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.86 -64.45 0.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 0.772 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.577 ' HA ' HD12 ' A' ' 44' ' ' LEU . 0.9 OUTLIER -50.75 -31.35 16.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.647 ' HG2' HD11 ' A' ' 71' ' ' ILE . 8.6 ttp180 -59.71 -52.13 66.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 110.256 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.24 -35.09 71.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 109.344 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.707 HD13 ' HB2' ' A' ' 9' ' ' GLN . 45.7 mt -59.71 -60.93 3.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.546 ' HA ' HD11 ' A' ' 13' ' ' ILE . 97.4 mt -43.28 -55.08 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -62.02 -34.3 75.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.978 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -66.82 -36.53 82.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.445 HG23 ' HG3' ' A' ' 52' ' ' LYS . 3.7 m -78.89 -65.22 1.02 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.406 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 64.6 mt -48.47 -24.31 1.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.5 -42.06 66.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.993 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.417 ' CZ3' ' CG ' ' A' ' 52' ' ' LYS . 47.1 p-90 -110.61 -31.58 7.18 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.568 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -59.37 -38.37 80.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.251 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.568 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 64.9 m-85 -152.75 80.24 5.64 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -41.16 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.496 1.788 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.33 113.13 11.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.09 -32.43 0.55 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.581 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.3 pp -132.03 166.91 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.428 ' HB2' HG21 ' A' ' 76' ' ' VAL . 4.6 t60 -128.37 111.67 13.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.591 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.3 t -91.01 131.55 37.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.406 ' CD ' ' HE2' ' A' ' 58' ' ' HIS . 5.8 pt-20 -141.64 151.23 42.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 98.3 m . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.425 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.425 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.647 HD11 ' HG2' ' A' ' 42' ' ' ARG . 92.1 mt -69.36 134.71 29.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.401 ' CG2' ' NE2' ' A' ' 70' ' ' HIS . 2.9 t -133.79 136.81 53.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.481 HG22 ' CE2' ' A' ' 23' ' ' PHE . 4.1 mp -110.08 153.61 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.75 161.67 35.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -83.76 124.25 30.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.428 HG21 ' HB2' ' A' ' 58' ' ' HIS . 61.8 t . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 t70 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.558 ' HB3' HD13 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -76.33 -36.6 58.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.354 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.447 ' O ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -50.25 -41.07 49.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -68.6 -45.47 71.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.473 ' O ' HG23 ' A' ' 16' ' ' VAL . 15.8 t80 -57.71 -57.63 11.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.638 HD11 ' HA ' ' A' ' 45' ' ' ILE . 4.8 tp -53.18 -43.84 50.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.355 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.7 -57.03 13.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -45.17 -37.64 4.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.263 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 12' ' ' PHE . 60.6 t -68.72 -49.12 67.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.1 mm -42.27 -46.37 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -52.5 -49.57 64.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -56.6 -47.69 79.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.539 HG22 HD11 ' A' ' 24' ' ' LEU . 5.7 mt -59.2 -63.85 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -39.29 -54.76 1.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -54.81 -53.0 60.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.632 ' HB2' HD13 ' A' ' 32' ' ' LEU . 1.1 t80 -55.05 -37.4 66.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.539 HD11 HG22 ' A' ' 20' ' ' ILE . 27.2 mt -70.42 -34.73 72.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -63.73 -47.65 80.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.32 145.55 31.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.036 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.43 -54.42 3.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -51.53 -51.12 57.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.355 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 28' ' ' GLU . 19.1 mttt -40.25 129.42 2.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -117.17 -35.61 4.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.3 124.76 12.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.981 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.632 HD13 ' HB2' ' A' ' 23' ' ' PHE . 21.3 tp -91.58 151.86 20.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.244 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -126.11 118.94 26.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.341 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.7 mt -94.0 173.56 7.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.16 153.0 66.05 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.97 4.74 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.525 1.803 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 85.9 m -82.79 175.81 9.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 108.271 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.0 p -81.83 -39.3 24.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.36 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 165.51 -61.67 0.23 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -50.72 -63.89 0.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 111.048 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.73 ' HA ' HD12 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -48.69 -43.84 37.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.266 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.846 ' HG3' HD11 ' A' ' 71' ' ' ILE . 2.0 tpp180 -47.85 -46.29 31.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.438 ' HG2' ' N ' ' A' ' 44' ' ' LEU . 0.7 OUTLIER -69.12 -27.84 65.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.73 HD12 ' HA ' ' A' ' 41' ' ' GLN . 61.0 mt -69.27 -46.69 66.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.638 ' HA ' HD11 ' A' ' 13' ' ' ILE . 88.2 mt -57.91 -42.38 82.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -68.25 -57.54 5.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.112 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.495 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -45.01 -53.04 8.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.137 . . . . 0.0 110.281 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.502 HG23 ' HG3' ' A' ' 52' ' ' LYS . 3.4 m -56.75 -70.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.383 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.408 HD21 HD13 ' A' ' 20' ' ' ILE . 93.0 mt -45.81 -25.84 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.4 OUTLIER -53.62 -40.52 65.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.052 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.437 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 43.6 p-90 -111.11 -32.15 6.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 108.008 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.578 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -60.78 -34.81 75.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.578 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 78.5 m-85 -155.83 81.63 3.81 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -39.34 1.26 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.514 1.797 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.97 115.29 12.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 155.57 -37.37 0.63 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.694 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.3 pp -128.46 162.52 34.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.596 ' HE2' ' CD ' ' A' ' 60' ' ' GLU . 2.0 t60 -125.45 111.99 15.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.587 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 41.0 t -90.46 130.26 39.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.596 ' CD ' ' HE2' ' A' ' 58' ' ' HIS . 5.9 pt-20 -141.27 147.1 37.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 23.5 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.35 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.439 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.846 HD11 ' HG3' ' A' ' 42' ' ' ARG . 28.9 mt -71.54 135.99 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 t -134.04 137.29 52.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.1 mp -110.2 153.5 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.77 159.74 40.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.956 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -82.11 122.94 28.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.491 HG21 ' HB2' ' A' ' 58' ' ' HIS . 93.6 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 t0 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.834 ' HB2' HD13 ' A' ' 44' ' ' LEU . 10.5 pt20 -68.33 -25.11 64.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -38.83 71.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.6 mttt -72.87 -39.88 66.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.068 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.446 ' CE2' ' HG2' ' A' ' 41' ' ' GLN . 9.5 t80 -63.73 -54.24 38.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.44 HD11 ' HA ' ' A' ' 45' ' ' ILE . 7.2 tp -55.57 -50.93 63.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.427 ' N ' HG23 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -49.43 -56.34 10.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.275 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -46.44 -39.52 10.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.296 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 12' ' ' PHE . 89.9 t -68.93 -48.08 72.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.42 ' HA ' HD12 ' A' ' 20' ' ' ILE . 8.2 mm -40.53 -49.55 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -50.74 -56.5 11.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -51.05 -45.64 61.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.449 HG22 ' CD1' ' A' ' 24' ' ' LEU . 29.7 mt -58.53 -55.96 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -50.98 -57.74 7.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -48.64 -45.74 38.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.78 ' HB2' HD13 ' A' ' 32' ' ' LEU . 0.9 OUTLIER -63.66 -43.07 97.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.967 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.449 ' CD1' HG22 ' A' ' 20' ' ' ILE . 27.2 mt -65.68 -33.13 75.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -59.4 -54.75 43.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.31 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.55 147.52 21.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -92.51 -65.31 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -41.15 -44.65 2.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.1 mttm -40.17 132.99 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.02 -38.47 3.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.78 137.09 24.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.987 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.78 HD13 ' HB2' ' A' ' 23' ' ' PHE . 17.1 tp -104.26 154.97 19.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -122.59 124.22 42.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.466 HD12 HD11 ' A' ' 73' ' ' ILE . 30.4 mt -100.19 171.39 7.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -78.05 152.33 79.47 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 118.11 5.15 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.543 1.812 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 33.7 m -82.38 157.41 23.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 108.286 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.407 HG22 ' H ' ' A' ' 38' ' ' THR . 0.9 OUTLIER -75.04 -24.55 58.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.397 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 153.34 -65.52 0.34 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.466 1.104 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -52.26 -63.45 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.498 ' HA ' HD12 ' A' ' 44' ' ' LEU . 1.3 mp0 -48.25 -42.46 30.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.72 -53.01 20.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.3 mttt -57.91 -40.94 81.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.834 HD13 ' HB2' ' A' ' 9' ' ' GLN . 32.4 mt -52.79 -55.4 23.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.44 ' HA ' HD11 ' A' ' 13' ' ' ILE . 96.8 mt -47.85 -59.74 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.404 ' OH ' ' OG1' ' A' ' 61' ' ' THR . 20.5 m-85 -55.34 -37.57 67.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.39 -48.3 80.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.601 HG23 ' HG3' ' A' ' 52' ' ' LYS . 2.3 m -66.96 -59.37 3.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.333 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.6 mt -50.89 -22.3 2.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.1 -41.93 72.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.506 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 48.1 p-90 -110.61 -31.93 7.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 107.997 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.601 ' HG3' HG23 ' A' ' 48' ' ' THR . 0.1 OUTLIER -59.91 -37.53 79.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.572 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 52.8 m-85 -158.44 79.96 3.03 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -45.37 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.48 1.779 . . . . 0.0 111.004 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.2 120.12 24.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 148.71 -32.45 1.2 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.701 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.3 pp -132.11 162.04 40.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 0.76 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.49 ' HB2' HG21 ' A' ' 76' ' ' VAL . 1.6 t60 -125.93 113.94 17.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.633 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.5 t -94.31 125.42 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.69 151.96 49.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.404 ' OG1' ' OH ' ' A' ' 46' ' ' TYR . 47.4 m . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.425 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.469 ' NE2' ' CG2' ' A' ' 72' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.8 mt -74.59 141.81 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.469 ' CG2' ' NE2' ' A' ' 70' ' ' HIS . 4.2 t -138.22 135.66 44.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.426 1.079 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.612 ' N ' HD12 ' A' ' 73' ' ' ILE . 3.6 mp -108.77 148.07 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 t -136.25 157.35 47.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 110.0 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.562 ' HE3' ' CE1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -80.67 125.82 30.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.49 HG21 ' HB2' ' A' ' 58' ' ' HIS . 61.3 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.2 t70 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.623 ' HB2' HD13 ' A' ' 44' ' ' LEU . 20.2 pt20 -86.04 -15.79 40.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -40.95 91.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -70.25 -40.12 74.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.441 ' CD1' ' N ' ' A' ' 13' ' ' ILE . 1.9 t80 -63.74 -53.54 49.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.528 ' CG1' HG21 ' A' ' 48' ' ' THR . 6.6 tp -57.93 -48.67 83.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.14 -53.14 37.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -50.29 -38.55 41.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.319 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.644 HG13 HD21 ' A' ' 34' ' ' LEU . 88.7 t -67.93 -50.13 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 16' ' ' VAL . 5.9 mm -40.12 -51.69 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -49.48 -49.13 46.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 110.271 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -56.56 -47.71 78.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.535 ' CD1' HD21 ' A' ' 49' ' ' LEU . 69.1 mt -61.54 -66.96 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 20' ' ' ILE . 4.4 mm-40 -38.81 -51.34 1.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.239 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -57.3 -50.33 73.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.519 ' CG ' ' HB2' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -59.2 -35.16 73.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.501 ' CD1' HG22 ' A' ' 20' ' ' ILE . 36.6 mt -75.68 -25.98 57.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -69.48 -45.52 68.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.295 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 t -60.79 144.3 52.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.996 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -90.54 -39.7 12.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.322 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -66.37 -54.34 25.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 110.259 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -40.37 128.34 2.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -111.95 -34.67 5.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.37 144.66 30.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.519 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 37.5 tp -114.08 153.72 28.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -125.5 116.39 21.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.644 HD21 HG13 ' A' ' 16' ' ' VAL . 27.3 mt -85.48 175.5 8.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -78.2 157.13 78.63 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.353 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 117.49 4.93 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.526 1.803 . . . . 0.0 110.972 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 61.7 m -83.45 169.26 15.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 108.331 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.97 -33.29 14.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.371 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 164.29 -64.14 0.24 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.5 -63.28 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.612 ' HA ' HD12 ' A' ' 44' ' ' LEU . 10.5 mt-30 -45.74 -52.37 11.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.278 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.782 ' HG3' HD11 ' A' ' 71' ' ' ILE . 50.2 ttp85 -42.02 -53.47 3.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.347 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.88 -38.45 70.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.623 HD13 ' HB2' ' A' ' 9' ' ' GLN . 33.2 mt -60.66 -60.2 4.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 92.8 mt -42.92 -58.49 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -56.48 -40.38 74.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.1 OUTLIER -60.45 -54.0 50.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.528 HG21 ' CG1' ' A' ' 13' ' ' ILE . 3.2 m -58.74 -59.19 5.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.39 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.535 HD21 ' CD1' ' A' ' 20' ' ' ILE . 76.1 mt -53.74 -20.13 5.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 1.3 t -57.96 -39.56 78.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 110.012 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.474 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 42.3 p-90 -111.88 -32.68 6.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 108.006 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.562 ' HB3' ' CE2' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -60.15 -31.24 69.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 64.4 m-85 -158.0 82.1 2.92 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -46.44 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.533 1.807 . . . . 0.0 110.965 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.15 117.21 18.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 154.78 -38.86 0.65 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.526 1.142 . . . . 0.0 111.011 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.674 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.1 pp -129.2 168.49 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.256 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.64 ' HB2' HG21 ' A' ' 76' ' ' VAL . 1.9 t60 -134.23 109.58 8.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.574 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 56.8 t -82.25 125.05 39.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.43 1.081 . . . . 0.0 109.313 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.409 ' OE1' ' CD2' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -135.99 146.63 47.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 13.2 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.419 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.499 ' NE2' ' CG2' ' A' ' 72' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.782 HD11 ' HG3' ' A' ' 42' ' ' ARG . 38.6 mt -75.16 141.8 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.8 ' C ' HD12 ' A' ' 73' ' ' ILE . 3.7 t -138.46 146.86 25.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.8 HD12 ' C ' ' A' ' 72' ' ' VAL . 2.0 mp -119.21 122.48 69.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.7 t -108.87 153.57 23.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.991 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.37 128.09 33.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.64 HG21 ' HB2' ' A' ' 58' ' ' HIS . 92.6 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.74 ' HB2' HD13 ' A' ' 44' ' ' LEU . 20.4 pt20 -66.23 -29.75 70.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -36.18 61.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.4 mmtt -76.1 -39.86 54.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.533 ' CE2' ' HG2' ' A' ' 41' ' ' GLN . 9.4 t80 -62.62 -53.81 49.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.566 ' CG1' HG21 ' A' ' 48' ' ' THR . 6.4 tp -54.68 -53.01 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.476 ' N ' HG23 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -49.35 -54.25 18.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -48.56 -37.07 16.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.293 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 12' ' ' PHE . 96.6 t -72.32 -48.58 47.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.434 ' HA ' HD12 ' A' ' 20' ' ' ILE . 9.3 mm -40.19 -46.37 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -52.09 -48.77 64.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 16' ' ' VAL . 21.6 mttt -56.67 -44.9 81.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.542 HG22 ' CD1' ' A' ' 24' ' ' LEU . 14.3 mt -62.11 -63.66 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.165 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -38.68 -56.25 1.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -54.52 -53.58 52.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.522 ' CG ' ' HB2' ' A' ' 32' ' ' LEU . 1.3 t80 -53.87 -36.18 62.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.542 ' CD1' HG22 ' A' ' 20' ' ' ILE . 28.6 mt -72.3 -40.41 67.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -56.55 -51.32 69.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.255 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.401 ' CB ' ' HD2' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -54.99 146.78 16.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.0 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -92.27 -57.14 2.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -49.17 -50.97 35.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.401 ' HD2' ' CB ' ' A' ' 26' ' ' SER . 22.3 mttp -40.3 126.05 2.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.8 mmt-85 -115.89 -33.58 5.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.122 . . . . 0.0 110.289 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.06 129.39 16.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.522 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 34.2 tp -97.17 151.49 19.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -127.93 120.69 28.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.356 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 26.6 mt -91.96 175.93 6.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.282 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -86.64 152.72 54.79 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 110.61 3.15 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.525 1.803 . . . . 0.0 110.949 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.4 p -86.76 -168.55 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 108.324 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.414 ' OG1' ' N ' ' A' ' 39' ' ' GLY . 31.1 p -85.1 -62.24 1.58 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.443 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.414 ' N ' ' OG1' ' A' ' 38' ' ' THR . . . -178.39 -63.47 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -41.04 -61.91 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 0.0 111.013 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.533 ' HG2' ' CE2' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -49.29 -47.49 46.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.779 ' HG2' HD11 ' A' ' 71' ' ' ILE . 10.9 ttp180 -43.96 -50.34 8.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -60.44 -39.73 88.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.74 HD13 ' HB2' ' A' ' 9' ' ' GLN . 28.6 mt -59.61 -48.26 82.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 67.0 mt -53.49 -57.53 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -57.76 -42.85 84.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.483 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.4 OUTLIER -57.39 -52.43 65.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.616 HG23 ' HG3' ' A' ' 52' ' ' LYS . 2.3 m -59.73 -63.04 1.44 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.137 . . . . 0.0 110.391 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.4 mt -49.52 -23.36 1.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 1.0 OUTLIER -54.37 -41.9 69.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.521 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 48.7 p-90 -110.77 -32.28 6.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 107.98 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.616 ' HG3' HG23 ' A' ' 48' ' ' THR . 0.0 OUTLIER -59.02 -36.99 75.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.57 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 58.8 m-85 -156.69 79.51 3.78 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -38.29 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.485 1.781 . . . . 0.0 111.033 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.31 117.79 14.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 151.96 -36.99 0.82 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.477 1.11 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.679 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.1 pp -129.47 165.95 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.536 ' HB2' HG21 ' A' ' 76' ' ' VAL . 1.6 t60 -126.99 118.24 24.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.613 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 62.1 t -97.11 133.39 38.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.448 ' OE1' ' NE2' ' A' ' 58' ' ' HIS . 2.4 pt-20 -142.09 139.78 32.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.359 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.567 ' CE1' ' CG2' ' A' ' 72' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.779 HD11 ' HG2' ' A' ' 42' ' ' ARG . 72.1 mt -86.31 141.22 14.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.567 ' CG2' ' CE1' ' A' ' 70' ' ' HIS . 3.9 t -138.01 137.21 44.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.177 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.404 ' N ' HD12 ' A' ' 73' ' ' ILE . 3.8 mp -109.91 154.71 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.69 163.11 31.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.004 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -86.81 122.15 30.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.253 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.536 HG21 ' HB2' ' A' ' 58' ' ' HIS . 94.0 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.4 t0 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.805 ' HB2' HD13 ' A' ' 44' ' ' LEU . 0.8 OUTLIER -74.52 -15.45 60.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.51 -42.17 78.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -71.64 -36.15 70.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.544 ' CE2' ' HG2' ' A' ' 41' ' ' GLN . 9.3 t80 -67.68 -55.84 11.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.636 HD11 ' HA ' ' A' ' 45' ' ' ILE . 6.3 tp -53.89 -52.47 35.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.464 ' N ' HG23 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -47.95 -56.89 6.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -45.68 -40.14 8.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.331 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 19' ' ' LYS . 95.3 t -70.96 -46.33 68.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.0 mm -41.71 -39.34 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -60.79 -46.6 89.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 16' ' ' VAL . 8.7 mttm -58.01 -47.91 81.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.78 HG22 ' CD1' ' A' ' 24' ' ' LEU . 72.7 mt -61.84 -61.88 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' ILE . 1.7 mt-10 -37.07 -63.38 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.79 -56.07 9.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.581 ' CE1' ' HE3' ' A' ' 75' ' ' LYS . 1.9 t80 -51.81 -36.66 48.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.78 ' CD1' HG22 ' A' ' 20' ' ' ILE . 18.1 mt -73.27 -36.59 66.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -63.77 -46.28 85.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.9 145.84 39.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.964 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -92.51 -53.99 3.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -51.54 -49.49 61.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -41.12 132.16 2.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.03 -40.21 3.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.353 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -144.97 125.0 13.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.996 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.566 ' HB2' ' CD1' ' A' ' 23' ' ' PHE . 14.9 tp -96.37 130.06 43.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -103.83 120.87 41.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 34' ' ' LEU . 27.0 mt -91.85 170.69 9.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -83.84 148.49 54.36 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 114.56 4.05 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.43 1.753 . . . . 0.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.6 p -90.19 -158.85 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 108.308 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 39' ' ' GLY . 20.9 p -85.75 -61.64 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.377 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.448 ' N ' ' OG1' ' A' ' 38' ' ' THR . . . 175.77 -49.5 0.12 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.461 1.101 . . . . 0.0 111.046 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -54.23 -59.54 4.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 111.006 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.726 ' HA ' HD12 ' A' ' 44' ' ' LEU . 5.8 mp0 -49.73 -51.42 38.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.823 ' HG3' HD11 ' A' ' 71' ' ' ILE . 25.5 ttp85 -42.37 -50.88 5.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.325 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -58.19 -38.9 77.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.805 HD13 ' HB2' ' A' ' 9' ' ' GLN . 34.8 mt -59.56 -50.39 74.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.636 ' HA ' HD11 ' A' ' 13' ' ' ILE . 91.3 mt -52.86 -58.03 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.148 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.599 ' CZ ' HG12 ' A' ' 59' ' ' VAL . 17.4 m-85 -54.72 -44.36 73.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.507 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -57.97 -53.12 61.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.253 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.416 HG23 ' HG3' ' A' ' 52' ' ' LYS . 1.4 m -58.07 -59.81 4.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.397 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.614 HD21 ' CD1' ' A' ' 20' ' ' ILE . 59.5 mt -54.54 -19.99 6.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 1.0 OUTLIER -58.35 -38.07 76.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.994 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.553 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 54.4 p-90 -111.93 -32.25 6.66 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.586 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.7 OUTLIER -61.92 -31.84 72.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.586 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 63.3 m-85 -160.5 84.07 2.02 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -35.82 2.97 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.518 1.799 . . . . 0.0 110.974 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.3 104.64 5.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 175.25 -46.04 0.13 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.51 HD11 ' CB ' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -131.34 -178.06 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 109.327 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.815 ' HB2' HG21 ' A' ' 76' ' ' VAL . 1.8 t-160 -142.12 110.59 6.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.564 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.694 HG13 HG23 ' A' ' 71' ' ' ILE . 22.0 t -83.63 127.49 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -139.24 140.99 37.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.361 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.4 m . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 110.4 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.457 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.823 HD11 ' HG3' ' A' ' 42' ' ' ARG . 86.9 mt -69.0 138.99 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.6 t -133.85 131.14 56.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.61 ' N ' HD12 ' A' ' 73' ' ' ILE . 3.9 mp -104.24 111.95 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.508 ' O ' HG23 ' A' ' 76' ' ' VAL . 2.1 m -109.0 129.36 55.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.964 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.581 ' HE3' ' CE1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -53.52 132.11 39.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.815 HG21 ' HB2' ' A' ' 58' ' ' HIS . 53.2 t . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.547 ' HB3' HD13 ' A' ' 44' ' ' LEU . 15.5 mm100 -64.75 -19.89 66.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.54 -35.65 79.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.7 mttp -75.81 -37.94 58.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.564 ' CE2' ' HG2' ' A' ' 41' ' ' GLN . 4.3 t80 -64.56 -51.87 60.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.602 HD11 ' HA ' ' A' ' 45' ' ' ILE . 4.9 tp -58.35 -53.8 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.48 ' N ' HG23 ' A' ' 13' ' ' ILE . 11.0 t0 -45.88 -54.54 8.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -48.02 -44.0 30.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 12' ' ' PHE . 96.1 t -62.43 -51.01 77.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 16' ' ' VAL . 6.8 mm -39.91 -55.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -41.49 -50.54 3.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.27 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -60.71 -45.09 95.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.674 HD13 HD21 ' A' ' 49' ' ' LEU . 72.0 mt -59.96 -66.25 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -38.61 -57.61 1.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.5 -54.77 28.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.569 ' HB2' HD13 ' A' ' 32' ' ' LEU . 2.2 t80 -53.27 -37.26 62.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.539 HD21 HG21 ' A' ' 57' ' ' ILE . 35.2 mt -71.71 -32.23 67.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -68.5 -58.81 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.242 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.26 147.23 1.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.988 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.14 -59.57 2.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.71 -47.9 20.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -42.39 127.89 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -117.42 -35.66 3.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.0 129.7 17.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.963 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.569 HD13 ' HB2' ' A' ' 23' ' ' PHE . 26.5 tp -96.35 157.57 15.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.429 ' HG2' HG22 ' A' ' 72' ' ' VAL . 32.6 mt-10 -131.08 128.32 39.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 34' ' ' LEU . 22.3 mt -104.81 166.36 10.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.19 155.67 92.79 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 116.99 4.75 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.471 1.774 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 37.6 m -90.08 175.36 7.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 108.299 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.0 t -89.23 -23.51 22.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.077 . . . . 0.0 110.404 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.13 -74.06 0.27 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.566 ' CD1' ' HD3' ' A' ' 43' ' ' LYS . 43.2 t80 -37.5 -62.3 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 0.752 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.694 ' HA ' HD12 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -42.21 -52.46 4.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -45.75 -50.53 13.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.566 ' HD3' ' CD1' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -58.47 -29.65 66.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.581 1.175 . . . . 0.0 109.334 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.694 HD12 ' HA ' ' A' ' 41' ' ' GLN . 26.7 mt -71.1 -48.63 51.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.602 ' HA ' HD11 ' A' ' 13' ' ' ILE . 89.6 mt -58.41 -48.62 84.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -63.34 -36.39 83.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.497 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.7 OUTLIER -62.3 -52.5 63.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.324 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.478 HG23 ' HE2' ' A' ' 52' ' ' LYS . 1.0 OUTLIER -57.82 -63.78 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.376 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.674 HD21 HD13 ' A' ' 20' ' ' ILE . 47.9 mt -49.37 -24.16 1.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.078 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 1.0 OUTLIER -54.23 -40.23 67.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.986 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.547 ' CH2' ' HG3' ' A' ' 52' ' ' LYS . 55.0 p-90 -111.8 -32.15 6.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 108.022 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.584 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.7 OUTLIER -62.63 -44.7 95.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.584 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 72.8 m-85 -154.78 80.83 4.42 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -35.69 2.99 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.526 1.803 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.95 108.0 7.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 172.72 -39.22 0.15 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.502 1.127 . . . . 0.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.539 HG21 HD21 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -129.23 -176.92 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.462 0.742 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.419 ' HB2' HG21 ' A' ' 76' ' ' VAL . 10.9 t60 -136.94 114.86 11.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.615 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.6 t -93.23 135.97 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -143.98 144.05 31.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.437 179.98 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.445 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 30.0 mt -71.18 131.18 34.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.429 HG22 ' HG2' ' A' ' 33' ' ' GLU . 3.9 t -126.92 140.32 49.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.446 ' N ' HD12 ' A' ' 73' ' ' ILE . 4.7 mp -113.36 153.43 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.88 161.68 35.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.009 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -83.65 124.03 30.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.419 HG21 ' HB2' ' A' ' 58' ' ' HIS . 91.7 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.258 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.64 ' HB2' HD13 ' A' ' 44' ' ' LEU . 10.2 pt20 -76.13 -28.53 57.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.273 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.75 -37.99 60.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -73.52 -50.34 21.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.603 ' CE1' ' OE1' ' A' ' 41' ' ' GLN . 9.1 t80 -56.0 -53.7 53.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.605 HD11 ' HA ' ' A' ' 45' ' ' ILE . 6.6 tp -54.99 -49.98 66.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.416 ' N ' HG23 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -51.33 -56.16 14.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -45.88 -38.29 7.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.614 HG12 HD11 ' A' ' 20' ' ' ILE . 97.9 t -70.24 -49.07 57.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.61 ' HA ' HD12 ' A' ' 20' ' ' ILE . 7.6 mm -40.07 -48.13 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -50.78 -58.19 6.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -51.68 -39.22 57.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.614 HD11 HG12 ' A' ' 16' ' ' VAL . 14.0 mt -65.11 -47.28 88.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -56.08 -52.96 62.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 0.0 110.347 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.414 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 2.1 t0 -55.67 -31.25 62.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.563 ' HB2' HD13 ' A' ' 32' ' ' LEU . 2.0 t80 -77.33 -23.7 50.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.5 mt -93.11 -33.83 13.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 22' ' ' ASP . 1.3 pt20 -66.78 -37.79 85.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.413 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 1.9 t -70.05 152.89 43.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.037 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -92.21 -66.76 0.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -42.86 -49.9 5.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 110.352 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.413 ' CG ' ' HB3' ' A' ' 26' ' ' SER . 36.6 mttt -40.1 126.45 2.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.04 -36.7 3.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 73' ' ' ILE . 0.8 OUTLIER -146.16 129.76 16.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.033 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.563 HD13 ' HB2' ' A' ' 23' ' ' PHE . 17.9 tp -96.25 157.28 15.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -129.07 115.76 18.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 110.315 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.699 HD12 HD11 ' A' ' 73' ' ' ILE . 27.4 mt -94.71 176.68 6.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -87.38 152.19 52.06 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 115.75 4.38 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.498 1.788 . . . . 0.0 111.031 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 67.6 m -78.01 159.4 28.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 108.31 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.3 t -67.33 -21.94 65.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.374 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 146.46 -60.32 0.48 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -52.06 -61.38 2.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 0.756 . . . . 0.0 110.961 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.603 ' OE1' ' CE1' ' A' ' 12' ' ' PHE . 20.5 mm-40 -48.95 -50.62 34.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.683 ' HG3' HD11 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -42.02 -52.7 4.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.338 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -57.18 -40.99 78.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.3 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.64 HD13 ' HB2' ' A' ' 9' ' ' GLN . 28.7 mt -58.29 -53.02 63.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.605 ' HA ' HD11 ' A' ' 13' ' ' ILE . 98.7 mt -50.87 -59.57 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -53.92 -42.23 68.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.495 ' O ' ' CB ' ' A' ' 50' ' ' SER . 1.0 OUTLIER -57.35 -54.67 44.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.519 HG23 ' HG3' ' A' ' 52' ' ' LYS . 2.4 m -59.62 -60.73 3.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 110.386 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.407 HD13 HG21 ' A' ' 59' ' ' VAL . 59.5 mt -50.68 -22.96 2.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 1.4 t -54.44 -41.62 69.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.969 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 41.2 p-90 -110.69 -31.86 7.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 107.993 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.553 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -59.89 -35.11 74.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.553 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 57.0 m-85 -156.98 81.67 3.31 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -50.33 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.452 1.764 . . . . 0.0 110.965 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.81 121.45 34.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 147.03 -35.97 1.24 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.755 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.3 pp -132.58 161.05 42.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.574 ' HB2' HG21 ' A' ' 76' ' ' VAL . 12.9 t60 -128.07 103.62 7.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.6 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.474 ' CG1' HG23 ' A' ' 71' ' ' ILE . 43.3 t -77.42 104.53 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.551 ' HB3' ' CD2' ' A' ' 58' ' ' HIS . 10.0 pt-20 -109.52 159.11 17.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.362 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.0 m . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.36 -179.947 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.424 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.683 HD11 ' HG3' ' A' ' 42' ' ' ARG . 92.9 mt -77.82 143.2 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.42 ' C ' HD12 ' A' ' 73' ' ' ILE . 2.4 t -138.62 132.33 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.824 ' N ' HD12 ' A' ' 73' ' ' ILE . 2.1 mp -101.92 111.86 33.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.456 ' O ' HG23 ' A' ' 76' ' ' VAL . 2.0 m -108.44 127.46 53.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.026 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -54.15 139.08 36.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.574 HG21 ' HB2' ' A' ' 58' ' ' HIS . 69.4 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 t70 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.68 ' HB2' HD13 ' A' ' 44' ' ' LEU . 9.7 pt20 -75.58 -16.29 60.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.259 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -64.06 -36.84 85.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -72.78 -46.92 50.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.489 ' CZ ' ' HG2' ' A' ' 41' ' ' GLN . 6.8 t80 -57.98 -53.66 55.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.632 HD11 ' HA ' ' A' ' 45' ' ' ILE . 6.9 tp -56.41 -49.5 76.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.405 ' N ' HG23 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -51.39 -53.16 39.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -49.29 -38.06 26.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 12' ' ' PHE . 94.1 t -69.25 -49.87 57.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 16' ' ' VAL . 7.7 mm -40.06 -51.94 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -48.69 -51.33 29.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -53.16 -49.15 67.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.494 ' CD1' HD21 ' A' ' 49' ' ' LEU . 31.8 mt -57.81 -62.2 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -40.58 -50.49 2.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.06 -50.03 74.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.868 ' HB2' HD13 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -58.17 -35.84 72.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 110.944 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.416 HD21 HG21 ' A' ' 57' ' ' ILE . 47.2 mt -74.07 -40.29 62.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -56.44 -43.06 79.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.446 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -67.92 146.13 53.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.981 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.44 -64.68 1.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.35 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.1 -43.45 3.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.245 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.446 ' CG ' ' HB3' ' A' ' 26' ' ' SER . 16.9 mttp -43.14 135.16 3.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.16 -36.74 3.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.89 149.9 35.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.153 . . . . 0.0 110.011 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.868 HD13 ' HB2' ' A' ' 23' ' ' PHE . 24.8 tp -112.93 148.31 35.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -122.12 123.69 42.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.0 mt -99.64 175.27 5.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -83.42 152.04 63.43 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 120.08 5.92 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.484 1.781 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.443 ' HB2' ' CG ' ' A' ' 42' ' ' ARG . 74.6 m -90.04 -171.49 3.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 108.313 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.7 t -93.62 -29.7 15.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 110.45 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 154.49 -52.0 0.46 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.506 ' O ' ' CG ' ' A' ' 43' ' ' LYS . 5.5 t80 -58.8 -65.23 0.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 0.742 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.571 ' HA ' HD12 ' A' ' 44' ' ' LEU . 10.2 mt-30 -40.5 -41.96 1.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.443 ' CG ' ' HB2' ' A' ' 37' ' ' CYS . 6.4 mtm180 -55.43 -52.95 61.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.506 ' CG ' ' O ' ' A' ' 40' ' ' PHE . 1.3 ptpt -57.17 -26.81 61.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.68 HD13 ' HB2' ' A' ' 9' ' ' GLN . 26.8 mt -72.61 -51.33 20.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.632 ' HA ' HD11 ' A' ' 13' ' ' ILE . 59.6 mt -54.99 -51.45 53.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -60.66 -39.9 90.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -65.48 -42.17 92.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.526 HG21 ' CG1' ' A' ' 13' ' ' ILE . 2.8 m -70.41 -59.78 2.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.389 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.494 HD21 ' CD1' ' A' ' 20' ' ' ILE . 79.5 mt -54.11 -20.75 7.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.27 -38.52 74.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.986 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.505 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 51.6 p-90 -111.73 -32.37 6.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 107.963 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.561 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -62.25 -33.02 73.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.561 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 68.3 m-85 -158.09 82.69 2.82 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -46.19 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.91 126.54 38.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 142.49 -33.82 1.86 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.466 1.104 . . . . 0.0 110.951 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.616 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.5 pp -131.02 163.25 37.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.774 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.603 ' HB2' HG21 ' A' ' 76' ' ' VAL . 3.2 t60 -129.77 111.07 12.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.592 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.635 HG22 HG13 ' A' ' 73' ' ' ILE . 21.2 t -99.85 126.6 53.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.503 ' OE1' ' N ' ' A' ' 61' ' ' THR . 0.0 OUTLIER -141.73 165.15 28.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.503 ' N ' ' OE1' ' A' ' 60' ' ' GLU . 4.7 m . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.368 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.412 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.408 HG23 ' CG1' ' A' ' 59' ' ' VAL . 55.1 mt -63.88 129.21 27.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 59' ' ' VAL . 2.3 t -130.64 147.67 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.635 HG13 HG22 ' A' ' 59' ' ' VAL . 4.3 mp -116.8 151.57 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.83 159.35 42.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.003 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.564 ' HE3' ' CE1' ' A' ' 23' ' ' PHE . 0.4 OUTLIER -79.08 125.76 29.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.603 HG21 ' HB2' ' A' ' 58' ' ' HIS . 86.2 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.9 t0 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.8 ' HB2' HD13 ' A' ' 44' ' ' LEU . 7.7 pt20 -76.29 -20.9 56.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -37.59 87.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -72.14 -44.05 63.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.411 ' CZ ' ' HB3' ' A' ' 41' ' ' GLN . 8.2 t80 -61.18 -53.42 57.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.991 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.623 HD11 ' HA ' ' A' ' 45' ' ' ILE . 6.8 tp -57.65 -54.48 30.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.501 ' N ' HG23 ' A' ' 13' ' ' ILE . 56.9 t0 -45.5 -52.52 10.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -50.59 -40.6 52.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.338 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.2 t -66.9 -52.92 39.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.544 ' N ' HD13 ' A' ' 17' ' ' ILE . 3.7 mm -40.27 -41.3 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -59.24 -53.79 54.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 110.294 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -52.57 -42.29 64.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.549 1.156 . . . . 0.0 109.38 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.526 HG22 HD11 ' A' ' 24' ' ' LEU . 71.8 mt -64.21 -61.57 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -39.61 -55.88 1.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.261 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -54.33 -52.32 61.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.717 ' HB2' HD13 ' A' ' 32' ' ' LEU . 1.1 t80 -55.5 -35.89 66.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 111.024 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.526 HD11 HG22 ' A' ' 20' ' ' ILE . 36.5 mt -73.82 -34.45 64.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -59.87 -44.8 93.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.1 146.45 54.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.003 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.27 -51.58 5.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -49.52 67.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -43.63 130.32 5.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -114.28 -34.32 5.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.27 146.07 30.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.991 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.717 HD13 ' HB2' ' A' ' 23' ' ' PHE . 21.2 tp -111.23 155.01 23.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -127.44 120.14 27.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 28.3 mt -94.98 178.14 5.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.17 151.94 60.83 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 114.26 3.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.516 1.798 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.0 p -89.2 168.01 12.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 108.325 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.5 t -70.93 -45.69 63.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.401 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.427 ' HA2' ' NH1' ' A' ' 42' ' ' ARG . . . 169.11 -67.98 0.17 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.413 1.071 . . . . 0.0 111.039 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -38.01 -59.99 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 0.772 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.425 ' NE2' HD12 ' A' ' 44' ' ' LEU . 28.3 mm100 -51.03 -41.07 59.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.679 ' HG2' HD11 ' A' ' 71' ' ' ILE . 5.7 ttm105 -49.71 -54.8 16.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -54.92 -40.8 70.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.343 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.8 HD13 ' HB2' ' A' ' 9' ' ' GLN . 37.3 mt -55.49 -63.91 1.02 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.623 ' HA ' HD11 ' A' ' 13' ' ' ILE . 80.8 mt -40.5 -62.04 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -54.75 -34.67 62.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -66.0 -45.57 81.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.309 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.447 HG23 ' HG3' ' A' ' 52' ' ' LYS . 8.0 m -67.07 -61.28 2.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.418 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.501 HD12 HG21 ' A' ' 59' ' ' VAL . 36.3 mt -51.1 -24.92 4.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.4 -42.7 54.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.989 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.462 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 39.4 p-90 -111.45 -31.64 6.97 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.581 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -61.95 -44.89 95.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.581 ' CD1' ' HB3' ' A' ' 52' ' ' LYS . 77.8 m-85 -146.4 77.28 11.69 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.985 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -49.43 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.536 1.808 . . . . 0.0 111.012 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.94 122.75 38.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 144.57 -34.36 1.6 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.119 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.667 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.1 pp -131.16 165.17 32.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.471 0.748 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.606 ' HB2' HG21 ' A' ' 76' ' ' VAL . 2.5 t60 -130.18 110.83 11.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.576 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.501 HG21 HD12 ' A' ' 49' ' ' LEU . 59.2 t -87.69 133.68 29.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -142.22 139.59 32.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.3 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.42 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.481 ' CE1' ' CG2' ' A' ' 72' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.679 HD11 ' HG2' ' A' ' 42' ' ' ARG . 35.2 mt -80.86 143.27 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.481 ' CG2' ' CE1' ' A' ' 70' ' ' HIS . 3.8 t -138.17 140.61 39.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.592 ' N ' HD12 ' A' ' 73' ' ' ILE . 3.7 mp -112.21 141.24 28.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -126.68 156.96 40.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.015 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.33 126.0 31.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.606 HG21 ' HB2' ' A' ' 58' ' ' HIS . 96.0 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -73.47 -28.51 61.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.449 ' O ' HG22 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -67.18 -41.58 85.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.4 mmtp -67.17 -49.85 63.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.568 ' CE1' ' OE1' ' A' ' 41' ' ' GLN . 13.1 t80 -55.32 -57.16 12.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.605 HD11 ' HA ' ' A' ' 45' ' ' ILE . 4.7 tp -54.2 -44.06 63.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.44 -55.42 31.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -46.48 -38.26 8.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 12' ' ' PHE . 59.9 t -68.45 -47.8 75.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.3 mm -42.32 -49.5 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -50.41 -50.95 50.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -58.53 -45.86 87.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.638 HG22 ' CD1' ' A' ' 24' ' ' LEU . 84.0 mt -57.97 -64.64 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' ILE . 2.7 mt-10 -37.1 -59.13 0.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.328 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.84 -55.91 14.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.779 ' HB2' HD13 ' A' ' 32' ' ' LEU . 1.5 t80 -52.56 -38.74 60.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.638 ' CD1' HG22 ' A' ' 20' ' ' ILE . 25.0 mt -72.2 -33.42 67.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -63.52 -51.76 64.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.414 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 1.2 t -54.42 142.17 28.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.007 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -92.7 -38.35 11.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 29' ' ' LYS . 5.5 tt0 -66.37 -46.78 75.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.414 ' CG ' ' HB3' ' A' ' 26' ' ' SER . 26.0 mttt -39.93 133.12 1.68 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.244 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.15 -38.17 3.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.1 128.31 16.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.048 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.779 HD13 ' HB2' ' A' ' 23' ' ' PHE . 22.8 tp -96.8 149.31 21.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.41 ' HG2' HG22 ' A' ' 72' ' ' VAL . 53.0 mt-10 -121.57 126.36 48.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.448 HD12 HD11 ' A' ' 73' ' ' ILE . 31.3 mt -103.3 176.43 5.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -75.1 156.39 85.95 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 113.13 3.72 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.472 1.775 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.5 m -75.45 162.98 27.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 108.292 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.8 t -93.96 -25.92 17.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.398 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 162.08 -82.66 0.12 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 0.0 110.962 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -44.74 -57.62 3.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 110.992 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.695 ' HA ' HD12 ' A' ' 44' ' ' LEU . 74.8 mm-40 -45.53 -55.38 6.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.941 ' HG3' HD11 ' A' ' 71' ' ' ILE . 1.8 ttt180 -43.69 -46.67 7.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -61.91 -37.67 85.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.695 HD12 ' HA ' ' A' ' 41' ' ' GLN . 41.3 mt -58.91 -58.82 6.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.251 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.605 ' HA ' HD11 ' A' ' 13' ' ' ILE . 95.3 mt -45.42 -60.5 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.447 ' CE1' ' CG1' ' A' ' 59' ' ' VAL . 19.2 m-85 -51.92 -52.84 47.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.8 OUTLIER -47.25 -54.72 10.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.593 HG23 ' HG3' ' A' ' 52' ' ' LYS . 4.7 m -57.21 -67.76 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.393 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.434 HD21 ' CD1' ' A' ' 20' ' ' ILE . 74.2 mt -46.09 -25.65 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.6 OUTLIER -54.16 -40.65 67.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.019 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.469 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 44.3 p-90 -110.94 -32.38 6.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 107.969 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.593 ' HG3' HG23 ' A' ' 48' ' ' THR . 0.1 OUTLIER -61.05 -33.47 73.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.277 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.574 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 53.4 m-85 -161.86 83.96 1.71 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -36.21 2.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.476 1.777 . . . . 0.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.18 108.61 6.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 173.35 -45.16 0.16 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.483 HD11 ' CB ' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -127.65 -176.91 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 109.346 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.548 ' CD2' ' OE1' ' A' ' 60' ' ' GLU . 1.6 t60 -136.58 116.06 12.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.644 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.447 ' CG1' ' CE1' ' A' ' 46' ' ' TYR . 37.3 t -90.79 133.99 30.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.269 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.548 ' OE1' ' CD2' ' A' ' 58' ' ' HIS . 8.6 pt-20 -140.74 153.71 46.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.263 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.404 HG21 ' NH1' ' A' ' 42' ' ' ARG . 7.5 m . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 110.395 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.705 ' CE1' ' CG2' ' A' ' 72' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.941 HD11 ' HG3' ' A' ' 42' ' ' ARG . 28.3 mt -74.38 141.03 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.705 ' CG2' ' CE1' ' A' ' 70' ' ' HIS . 3.9 t -138.86 137.16 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.448 HD11 HD12 ' A' ' 34' ' ' LEU . 3.8 mp -109.54 152.54 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.72 159.42 41.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -81.1 126.56 31.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.404 HG21 ' HB2' ' A' ' 58' ' ' HIS . 92.9 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.591 ' HB3' HD13 ' A' ' 44' ' ' LEU . 13.4 mm-40 -90.75 -26.12 19.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.2 -35.3 78.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -78.03 -40.51 38.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.861 ' O ' HG23 ' A' ' 16' ' ' VAL . 1.3 t80 -65.08 -40.02 94.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.622 HD11 ' HA ' ' A' ' 45' ' ' ILE . 6.2 tp -71.01 -48.74 54.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -54.54 -43.96 72.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.176 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -61.48 -37.18 82.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.267 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 12' ' ' PHE . 94.8 t -68.56 -50.92 51.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 20' ' ' ILE . 4.4 mt -47.74 -50.08 9.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -45.2 -47.08 12.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -62.18 -34.19 75.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.595 HG22 HD11 ' A' ' 24' ' ' LEU . 65.5 mt -71.17 -60.53 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.429 ' HA ' HD12 ' A' ' 24' ' ' LEU . 1.9 mm-40 -38.12 -51.46 1.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -57.96 -50.33 73.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.74 ' HB2' HD13 ' A' ' 32' ' ' LEU . 1.4 t80 -58.0 -30.97 66.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.595 HD11 HG22 ' A' ' 20' ' ' ILE . 16.7 mt -77.38 -35.24 54.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -60.21 -52.37 65.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.406 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -57.3 148.07 23.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.017 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -92.36 -63.56 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -42.64 -45.71 4.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.246 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.406 ' CG ' ' HB3' ' A' ' 26' ' ' SER . 68.0 mttt -41.77 134.79 2.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.91 -37.64 3.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.02 155.08 42.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.982 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.74 HD13 ' HB2' ' A' ' 23' ' ' PHE . 22.2 tp -118.61 155.33 31.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -123.67 123.92 41.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 27.3 mt -102.99 167.2 9.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.3 p-10 -67.08 150.75 97.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 101.23 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 64.7 m -70.82 178.86 2.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 108.268 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.9 p -92.76 -55.83 3.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.372 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -177.26 -50.96 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.462 ' O ' ' CG ' ' A' ' 43' ' ' LYS . 9.1 t80 -65.62 -64.09 0.94 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 0.77 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.714 ' HA ' HD12 ' A' ' 44' ' ' LEU . 1.6 mt-30 -51.83 -26.16 9.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.653 ' HG2' HD11 ' A' ' 71' ' ' ILE . 1.6 ttm180 -67.37 -47.94 68.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.322 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 40' ' ' PHE . 6.8 ptpt -62.62 -29.37 70.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.714 HD12 ' HA ' ' A' ' 41' ' ' GLN . 64.4 mt -63.05 -52.8 61.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.622 ' HA ' HD11 ' A' ' 13' ' ' ILE . 53.8 mt -53.33 -51.42 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.618 ' CE1' ' CG1' ' A' ' 59' ' ' VAL . 33.9 m-85 -63.56 -34.14 77.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 111.061 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.41 ' O ' ' HB3' ' A' ' 50' ' ' SER . 2.3 tt0 -67.93 -42.6 80.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.519 HG23 ' HG3' ' A' ' 52' ' ' LYS . 16.1 m -68.67 -70.79 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.8 mt -42.97 -31.74 0.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.41 ' HB3' ' O ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -48.45 -41.48 29.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.044 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.569 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 54.6 p-90 -110.68 -32.65 6.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 108.002 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.575 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -61.14 -42.97 99.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.575 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 79.5 m-85 -153.39 80.37 5.25 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -57.54 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.53 1.805 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.26 103.02 12.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 173.75 -50.59 0.15 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.117 . . . . 0.0 111.06 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.554 HG21 HD21 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -127.88 -177.04 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 0.773 . . . . 0.0 109.333 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.487 ' C ' ' CD2' ' A' ' 58' ' ' HIS . 0.9 OUTLIER -139.35 121.71 16.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.607 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.618 ' CG1' ' CE1' ' A' ' 46' ' ' TYR . 36.7 t -93.51 132.8 36.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.42 ' HB3' ' NE2' ' A' ' 58' ' ' HIS . 0.5 OUTLIER -144.35 142.65 30.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 110.327 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.425 ' HG1' ' HH ' ' A' ' 46' ' ' TYR . 53.8 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.423 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.476 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.653 HD11 ' HG2' ' A' ' 42' ' ' ARG . 35.7 mt -63.81 134.17 28.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.408 ' C ' HD12 ' A' ' 73' ' ' ILE . 2.6 t -133.28 143.23 39.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.637 ' N ' HD12 ' A' ' 73' ' ' ILE . 3.9 mp -112.97 151.12 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.29 157.74 46.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.012 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -78.62 123.1 26.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.469 HG21 ' HB2' ' A' ' 58' ' ' HIS . 95.8 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.642 ' HB3' HD13 ' A' ' 44' ' ' LEU . 22.9 mt-30 -70.36 -28.43 65.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -29.37 64.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.4 mtmt -81.87 -46.47 14.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.855 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.9 OUTLIER -58.9 -38.58 79.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.716 HG12 HG21 ' A' ' 48' ' ' THR . 6.5 tp -71.46 -49.4 47.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.253 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.416 ' N ' HG23 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -53.5 -43.07 67.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -63.02 -37.11 85.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.855 HG23 ' O ' ' A' ' 12' ' ' PHE . 93.2 t -68.93 -51.08 48.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.422 HD12 ' O ' ' A' ' 13' ' ' ILE . 4.1 mt -46.68 -47.33 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -47.8 -48.58 30.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -57.32 -38.76 74.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.449 HG22 ' CD1' ' A' ' 24' ' ' LEU . 47.8 mt -68.65 -45.74 80.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -51.17 -61.08 2.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -48.51 -46.42 38.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.834 ' HB2' HD13 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -60.16 -41.88 93.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.521 HD21 HG21 ' A' ' 57' ' ' ILE . 26.6 mt -65.9 -38.22 88.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -59.89 -42.45 93.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.29 145.92 54.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.035 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.24 -56.89 2.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 29' ' ' LYS . 1.4 mt-10 -49.59 -51.5 36.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 28' ' ' GLU . 22.9 mttp -40.12 133.25 1.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.59 -35.66 3.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.21 137.95 24.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.985 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.834 HD13 ' HB2' ' A' ' 23' ' ' PHE . 15.4 tp -103.77 157.0 17.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -126.58 125.81 42.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 34' ' ' LEU . 23.4 mt -100.96 163.87 12.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.092 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.88 152.99 91.15 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 120.55 6.12 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.515 1.797 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.9 m -90.11 162.79 15.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 108.286 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.1 t -70.68 -36.65 73.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 163.64 -74.56 0.18 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.541 1.151 . . . . 0.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -42.19 -53.4 4.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 0.763 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.468 ' HG2' ' CE2' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -55.71 -54.04 49.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.8 ' HG2' HD11 ' A' ' 71' ' ' ILE . 0.5 OUTLIER -38.77 -46.06 1.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -63.7 -47.62 80.43 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.642 HD13 ' HB3' ' A' ' 9' ' ' GLN . 64.1 mt -46.63 -48.0 19.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.643 ' HA ' HD11 ' A' ' 13' ' ' ILE . 96.0 mt -56.26 -58.44 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.414 ' HH ' ' HG1' ' A' ' 61' ' ' THR . 22.8 m-85 -54.24 -62.82 1.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.948 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.492 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.7 OUTLIER -41.82 -53.04 3.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.716 HG21 HG12 ' A' ' 13' ' ' ILE . 3.7 m -57.14 -69.05 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.397 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.6 mt -46.76 -25.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.4 OUTLIER -54.38 -40.91 68.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.069 . . . . 0.0 109.993 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 44.7 p-90 -110.28 -30.55 7.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 108.004 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.544 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -64.54 -39.17 93.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.604 ' O ' HD11 ' A' ' 57' ' ' ILE . 87.6 m-85 -151.92 79.42 6.38 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -51.66 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.578 1.831 . . . . 0.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.08 114.56 21.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.73 -32.84 0.75 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.956 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.604 HD11 ' O ' ' A' ' 53' ' ' TYR . 1.4 pp -133.57 165.62 31.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.475 0.75 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.535 ' HB2' HG21 ' A' ' 76' ' ' VAL . 4.3 t60 -129.99 108.47 10.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.572 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.609 HG22 HG13 ' A' ' 73' ' ' ILE . 30.8 t -92.85 131.36 40.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.446 ' OE1' ' HB ' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -138.27 165.26 27.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.414 ' HG1' ' HH ' ' A' ' 46' ' ' TYR . 1.6 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.41 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.551 ' CE1' HG23 ' A' ' 72' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.8 HD11 ' HG2' ' A' ' 42' ' ' ARG . 33.6 mt -81.35 135.97 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.551 HG23 ' CE1' ' A' ' 70' ' ' HIS . 2.1 t -137.08 141.0 41.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.609 HG13 HG22 ' A' ' 59' ' ' VAL . 4.0 mp -112.71 157.13 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.65 161.51 35.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -83.01 124.2 30.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.582 1.176 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.535 HG21 ' HB2' ' A' ' 58' ' ' HIS . 86.9 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 55.9 83.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 0.75 . . . . 0.0 110.029 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.11 -53.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.23 -60.68 5.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.9 m -59.52 -52.56 65.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 110.022 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.6 m -48.86 -56.23 9.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.995 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.24 -21.2 63.88 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.05 -46.64 23.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.451 0.736 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.704 ' HB2' HD13 ' A' ' 44' ' ' LEU . 14.0 pt20 -76.27 -13.04 60.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 110.344 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.83 -43.34 72.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -69.5 -39.71 77.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.424 ' O ' HG23 ' A' ' 16' ' ' VAL . 7.7 t80 -64.57 -53.68 44.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 111.043 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.592 HD11 ' HA ' ' A' ' 45' ' ' ILE . 6.3 tp -57.79 -48.35 83.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -51.69 -52.52 47.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -50.32 -38.48 41.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 12' ' ' PHE . 93.8 t -67.86 -49.99 63.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' VAL . 6.8 mm -40.45 -56.31 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -42.2 -52.74 4.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -54.2 -44.79 71.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.7 mt -60.45 -56.91 14.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -44.38 -57.37 3.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.57 -52.48 46.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.636 ' HB2' HD13 ' A' ' 32' ' ' LEU . 1.0 OUTLIER -55.07 -39.97 69.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.961 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.3 mt -67.77 -38.52 83.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -58.54 -59.06 5.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 110.324 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.407 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -49.29 146.25 3.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -92.2 -59.92 1.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.319 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.6 -48.31 19.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.233 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.407 ' CG ' ' HB3' ' A' ' 26' ' ' SER . 23.7 mttt -40.31 126.21 2.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.67 -34.15 5.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 110.331 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.35 136.5 23.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.057 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.636 HD13 ' HB2' ' A' ' 23' ' ' PHE . 30.2 tp -102.8 153.46 20.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -124.28 118.82 27.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.2 mt -95.94 174.63 6.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.262 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -77.78 152.1 80.07 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 113.63 3.84 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.478 1.778 . . . . 0.0 111.013 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 53.3 m -72.96 165.2 25.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 108.3 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.412 HG22 ' H ' ' A' ' 38' ' ' THR . 1.2 t -87.39 -32.59 19.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.415 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 169.03 -78.17 0.1 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.441 1.088 . . . . 0.0 111.051 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -49.76 -62.87 1.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.755 . . . . 0.0 110.986 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.611 ' HA ' HD12 ' A' ' 44' ' ' LEU . 31.7 mt-30 -43.73 -48.43 7.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -47.61 -51.57 20.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 110.273 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -58.11 -39.8 79.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.704 HD13 ' HB2' ' A' ' 9' ' ' GLN . 46.2 mt -55.53 -60.27 3.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.592 ' HA ' HD11 ' A' ' 13' ' ' ILE . 81.9 mt -42.8 -62.34 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -52.1 -43.24 63.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 110.962 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -57.49 -53.14 61.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.458 HG23 ' HG3' ' A' ' 52' ' ' LYS . 4.3 m -59.31 -62.19 2.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.083 . . . . 0.0 110.379 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.454 HD22 ' CD2' ' A' ' 53' ' ' TYR . 50.5 mt -50.42 -22.92 2.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 1.3 t -54.46 -42.06 70.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.447 1.092 . . . . 0.0 110.023 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 38.1 p-90 -110.57 -31.7 7.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 108.002 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.568 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -60.33 -39.28 86.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.568 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 48.9 m-85 -152.69 79.42 5.89 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -48.97 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.496 1.788 . . . . 0.0 110.938 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.53 121.1 33.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 146.99 -37.14 1.18 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.556 1.16 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.663 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.2 pp -128.92 165.35 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 0.761 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.601 ' HE2' ' CD ' ' A' ' 60' ' ' GLU . 1.6 t60 -128.52 111.78 13.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.586 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.5 t -88.85 132.13 34.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.601 ' CD ' ' HE2' ' A' ' 58' ' ' HIS . 6.1 pt-20 -142.75 149.39 38.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.464 ' CG2' ' HG2' ' A' ' 69' ' ' ARG . 1.5 m -106.1 104.92 14.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 110.404 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.588 HD12 HG21 ' A' ' 72' ' ' VAL . 10.0 mt -101.79 142.15 33.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -123.83 132.55 53.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.351 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.448 ' OG1' ' CB ' ' A' ' 67' ' ' LYS . 29.8 p -124.65 -148.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 110.376 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.07 -62.02 1.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.72 -37.12 11.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.448 ' CB ' ' OG1' ' A' ' 64' ' ' THR . 0.9 OUTLIER -67.48 -26.79 66.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 45.21 -168.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 110.327 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.464 ' HG2' ' CG2' ' A' ' 61' ' ' THR . 0.0 OUTLIER -62.79 105.75 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.43 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER -131.34 145.26 51.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.586 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 65.1 mt -69.9 138.32 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.588 HG21 HD12 ' A' ' 62' ' ' LEU . 3.0 t -138.21 134.47 44.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.6 mp -108.44 155.19 9.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.75 162.37 33.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.979 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.564 ' HE3' ' CE1' ' A' ' 23' ' ' PHE . 0.6 OUTLIER -84.6 122.02 28.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.459 HG12 ' N ' ' A' ' 77' ' ' ASP . 95.3 t -122.77 163.25 21.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.459 ' N ' HG12 ' A' ' 76' ' ' VAL . 27.4 t70 -133.07 158.53 42.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.65 -54.8 7.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -47.9 -60.23 2.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.5 -60.45 1.11 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.125 . . . . 0.0 110.256 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.15 129.47 27.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 34.6 t -64.63 -49.03 72.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 145.22 -144.91 13.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.456 1.097 . . . . 0.0 111.034 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 139.19 23.95 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.5 m -69.23 -60.52 2.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.962 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.55 -61.76 0.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.995 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.8 m -144.52 96.61 2.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 0.786 . . . . 0.0 110.026 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 m -124.08 138.86 54.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.996 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.97 -66.19 1.41 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 8' ' ' ASP . 73.5 m -63.93 -59.46 4.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.437 0.728 . . . . 0.0 109.978 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -42.22 -58.07 2.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.022 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.18 -31.14 61.79 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.528 1.142 . . . . 0.0 111.034 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 5' ' ' SER . 0.9 OUTLIER -67.62 -56.48 9.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 0.801 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.625 ' CB ' HD13 ' A' ' 44' ' ' LEU . 8.3 pt20 -65.3 -23.79 67.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.41 -43.43 83.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -66.78 -44.44 81.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.588 ' CD1' ' OE1' ' A' ' 41' ' ' GLN . 12.5 t80 -62.86 -56.33 18.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.606 HD11 ' HA ' ' A' ' 45' ' ' ILE . 4.9 tp -55.51 -54.18 28.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.498 ' N ' HG23 ' A' ' 13' ' ' ILE . 48.1 t0 -45.2 -54.12 7.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -49.17 -40.33 32.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 19' ' ' LYS . 90.1 t -68.1 -48.48 74.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.9 mm -41.5 -45.13 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -52.96 -44.24 66.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 16' ' ' VAL . 53.4 mttm -59.24 -47.97 83.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.438 HG22 ' CD1' ' A' ' 24' ' ' LEU . 5.7 mt -59.98 -59.92 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -45.22 -60.23 2.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -51.28 -49.86 60.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.546 ' CB ' HD22 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -56.3 -38.39 71.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 111.049 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.438 ' CD1' HG22 ' A' ' 20' ' ' ILE . 23.4 mt -70.1 -37.97 75.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -58.34 -47.95 82.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.428 ' CB ' ' HD2' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -61.31 145.62 50.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.023 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -92.42 -58.71 2.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -47.0 -40.07 13.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.428 ' HD2' ' CB ' ' A' ' 26' ' ' SER . 16.9 mttm -53.34 126.93 22.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.56 -34.2 4.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.98 129.75 17.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.954 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.546 HD22 ' CB ' ' A' ' 23' ' ' PHE . 30.9 tp -97.2 152.4 18.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -124.99 123.41 39.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 34' ' ' LEU . 20.4 mt -98.49 175.99 5.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -88.96 151.9 47.71 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 121.23 6.44 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.517 1.798 . . . . 0.0 111.041 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.2 m -87.08 178.31 6.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 108.329 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.0 p -84.7 -23.37 29.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.438 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 148.07 -66.9 0.39 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -43.17 -63.6 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 0.793 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.588 ' OE1' ' CD1' ' A' ' 12' ' ' PHE . 29.3 mm-40 -50.86 -45.54 59.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -44.49 -47.6 10.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -35.36 79.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.625 HD13 ' CB ' ' A' ' 9' ' ' GLN . 38.2 mt -61.33 -42.89 99.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.606 ' HA ' HD11 ' A' ' 13' ' ' ILE . 88.3 mt -60.6 -49.97 82.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -60.81 -49.9 75.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.5 ' O ' ' CB ' ' A' ' 50' ' ' SER . 1.4 mm-40 -49.59 -53.45 23.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.55 HG23 ' HG3' ' A' ' 52' ' ' LYS . 2.9 m -58.22 -66.49 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.392 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 78.5 mt -48.2 -24.37 1.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.9 OUTLIER -52.9 -43.19 66.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.01 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.569 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 51.2 p-90 -110.53 -31.94 7.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 108.026 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.569 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -58.77 -53.31 59.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.576 ' O ' HD11 ' A' ' 57' ' ' ILE . 88.0 m-85 -139.94 75.93 29.1 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -43.36 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.772 . . . . 0.0 111.019 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.17 120.38 24.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 147.06 -34.47 1.31 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.598 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.3 pp -129.23 164.51 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.758 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.533 ' HE2' ' CD ' ' A' ' 60' ' ' GLU . 2.2 t60 -125.91 112.42 15.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.619 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.8 t -94.39 133.96 33.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.533 ' CD ' ' HE2' ' A' ' 58' ' ' HIS . 4.1 pt-20 -143.31 146.0 33.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.3 m -102.18 106.04 16.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.45 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.489 HD12 HG21 ' A' ' 72' ' ' VAL . 12.6 mt -103.35 142.38 34.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -124.4 129.85 51.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.344 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.518 ' OG1' ' CB ' ' A' ' 67' ' ' LYS . 32.8 p -120.22 -146.09 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.369 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -92.54 -63.07 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -92.24 -40.32 11.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.518 ' CB ' ' OG1' ' A' ' 64' ' ' THR . 0.0 OUTLIER -58.3 -46.79 85.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 65.5 174.8 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -50.85 97.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.273 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.445 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER -123.26 144.07 49.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.602 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 13.7 mt -70.42 133.55 31.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.489 HG21 HD12 ' A' ' 62' ' ' LEU . 3.0 t -130.59 136.94 57.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 73' ' ' ILE . 4.3 mp -111.74 153.24 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.8 161.24 36.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.99 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -83.52 124.89 31.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.523 HG21 ' HB2' ' A' ' 58' ' ' HIS . 92.9 t -126.42 164.16 27.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.48 ' N ' HG12 ' A' ' 76' ' ' VAL . 3.0 t70 -141.64 151.57 43.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.3 -66.87 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.92 -55.65 3.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -38.9 -57.85 1.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.1 mtp85 -54.32 143.65 22.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 46.6 t -98.72 -45.16 6.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.032 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -59.71 -122.17 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 81.0 2.29 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.2 t -80.15 -58.06 3.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.002 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.4 p -48.56 -58.42 4.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 t 44.68 92.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 0.765 . . . . 0.0 109.993 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 m -104.33 79.82 1.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 0.0 110.008 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.92 -64.02 1.15 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 8' ' ' ASP . 1.2 m -40.92 -66.68 0.3 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 0.761 . . . . 0.0 109.966 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -40.66 -52.1 2.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.993 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.53 -41.18 25.24 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.423 1.077 . . . . 0.0 111.036 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 5' ' ' SER . 8.8 t0 -56.82 -42.78 80.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 0.729 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -80.51 -14.0 58.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.82 -47.81 10.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -35.39 80.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -68.87 -55.21 11.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.619 HD11 ' HA ' ' A' ' 45' ' ' ILE . 4.9 tp -56.7 -48.37 80.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -51.03 -54.45 24.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -48.02 -40.68 23.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.498 HG12 HD11 ' A' ' 20' ' ' ILE . 93.8 t -65.88 -50.02 73.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.547 ' HA ' HD12 ' A' ' 20' ' ' ILE . 7.2 mm -40.18 -52.99 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -50.31 -53.03 31.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -52.6 -38.74 60.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 17' ' ' ILE . 11.5 mt -68.09 -62.74 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -42.63 -57.77 2.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.08 -52.59 50.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.482 ' CB ' HD22 ' A' ' 32' ' ' LEU . 1.4 t80 -54.83 -38.91 67.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.594 HD21 HG21 ' A' ' 57' ' ' ILE . 24.1 mt -69.98 -38.75 76.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -59.41 -43.08 93.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.411 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -62.39 146.26 51.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.591 1.182 . . . . 0.0 110.026 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -92.28 -63.64 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 29' ' ' LYS . 1.4 tm-20 -43.38 -48.02 6.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.268 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.411 ' CG ' ' HB3' ' A' ' 26' ' ' SER . 18.2 mttp -40.52 131.22 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.94 -36.72 3.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.99 136.62 24.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.482 HD22 ' CB ' ' A' ' 23' ' ' PHE . 32.9 tp -103.5 151.39 22.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -124.41 119.0 27.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.286 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.45 HD12 HD11 ' A' ' 73' ' ' ILE . 32.3 mt -97.22 174.03 6.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -73.22 147.0 87.56 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 104.65 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.463 1.77 . . . . 0.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.1 m -63.86 167.79 5.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 108.307 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.6 t -94.25 -14.1 25.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.39 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 152.41 -73.15 0.27 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -57.94 -61.31 2.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 0.733 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.847 ' HA ' HD12 ' A' ' 44' ' ' LEU . 30.6 mm100 -44.77 -29.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.971 ' HG3' HD11 ' A' ' 71' ' ' ILE . 1.4 tpp85 -67.7 -52.19 40.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -58.33 -28.11 64.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.847 HD12 ' HA ' ' A' ' 41' ' ' GLN . 58.1 mt -65.34 -52.18 55.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.619 ' HA ' HD11 ' A' ' 13' ' ' ILE . 94.8 mt -54.96 -52.47 43.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -56.83 -49.06 76.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.5 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -52.7 -53.37 48.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.408 HG21 HG12 ' A' ' 13' ' ' ILE . 17.0 m -58.59 -61.83 2.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 110.36 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.469 HD21 HD13 ' A' ' 20' ' ' ILE . 81.2 mt -52.85 -21.17 3.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 1.0 OUTLIER -56.14 -40.92 74.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.979 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 36.1 p-90 -110.85 -32.02 6.98 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.565 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -61.61 -29.79 70.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.358 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.565 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 66.4 m-85 -160.22 83.21 2.16 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -41.09 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.23 112.04 7.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 163.1 -36.75 0.33 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.652 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.2 pp -127.66 166.12 25.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 0.778 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.544 ' HE2' ' CD ' ' A' ' 60' ' ' GLU . 1.7 t60 -128.76 114.59 16.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.613 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.0 t -93.32 136.18 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.544 ' CD ' ' HE2' ' A' ' 58' ' ' HIS . 4.4 pt-20 -144.57 146.01 32.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.1 m -101.42 104.97 15.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.371 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.713 HD12 HG21 ' A' ' 72' ' ' VAL . 18.8 mt -100.64 141.18 33.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.41 1.069 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -124.11 128.45 49.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.282 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.519 ' OG1' ' CB ' ' A' ' 67' ' ' LYS . 29.9 p -122.41 -147.32 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.386 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -92.53 -62.62 1.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.8 ptpt -91.74 -40.93 10.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.519 ' CB ' ' OG1' ' A' ' 64' ' ' THR . 0.0 OUTLIER -58.24 -48.51 80.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 64.41 173.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 110.261 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 76.1 mtm180 -46.46 101.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.442 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER -129.24 144.31 51.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.619 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.971 HD11 ' HG3' ' A' ' 42' ' ' ARG . 30.4 mt -70.97 136.5 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.713 HG21 HD12 ' A' ' 62' ' ' LEU . 4.1 t -134.19 136.5 53.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.45 HD11 HD12 ' A' ' 34' ' ' LEU . 4.1 mp -110.39 152.48 12.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.74 161.46 35.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.025 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -80.97 125.42 30.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.477 HG12 ' N ' ' A' ' 77' ' ' ASP . 90.6 t -124.83 163.84 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.477 ' N ' HG12 ' A' ' 76' ' ' VAL . 47.7 t0 -139.07 154.7 48.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.61 -53.62 49.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.335 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.34 -30.7 68.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.49 -62.97 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -58.84 142.96 48.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 95.8 p -82.8 -47.07 12.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.088 . . . . 0.0 110.008 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 68.17 157.33 0.98 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -179.44 4.99 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.464 1.771 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.1 m -83.5 -56.62 3.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.009 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 m -82.35 -56.77 3.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.975 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.137 . . . . 0.0 110.983 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.7 p -62.62 129.92 42.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.966 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.64 126.78 29.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.73 -66.51 0.98 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.85 -65.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.773 . . . . 0.0 110.017 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 8' ' ' ASP . 0.3 OUTLIER -46.7 -49.01 20.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.972 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.0 -31.31 0.09 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.472 1.108 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 6' ' ' SER . 19.1 m-20 -62.12 -63.67 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 109.317 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.72 ' HB2' HD13 ' A' ' 44' ' ' LEU . 9.0 pt20 -68.38 -32.28 72.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.259 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -41.99 61.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -70.25 -39.99 74.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -64.59 -54.96 23.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.571 HD11 ' HA ' ' A' ' 45' ' ' ILE . 7.9 tp -55.72 -50.34 68.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.427 ' N ' HG23 ' A' ' 13' ' ' ILE . 0.6 OUTLIER -49.36 -55.67 12.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -46.75 -40.66 13.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.426 HG12 ' CD1' ' A' ' 20' ' ' ILE . 99.1 t -67.32 -48.6 77.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.1 mm -40.85 -49.58 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -52.75 -53.76 43.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -51.29 -41.76 60.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.616 HG22 ' CD1' ' A' ' 24' ' ' LEU . 7.7 mt -64.39 -58.99 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 20' ' ' ILE . 6.0 mm-40 -35.86 -64.92 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.423 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 3.8 t0 -46.85 -59.25 3.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.539 ' CE2' HG22 ' A' ' 73' ' ' ILE . 2.4 t80 -48.88 -22.02 0.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.14 . . . . 0.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.616 ' CD1' HG22 ' A' ' 20' ' ' ILE . 23.1 mt -93.43 -32.74 14.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 22' ' ' ASP . 0.7 OUTLIER -77.47 -12.18 59.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.05 150.59 20.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.991 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.18 -66.67 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -42.53 -51.47 5.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -41.21 125.57 2.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.2 -35.32 4.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.14 126.58 14.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.021 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.514 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 31.6 tp -93.05 149.37 21.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -126.02 117.79 23.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 25.9 mt -94.08 177.32 6.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -83.57 153.18 64.78 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 119.11 5.5 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.494 1.786 . . . . 0.0 111.029 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 58.8 m -88.99 170.77 10.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 108.304 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.1 p -74.82 -51.95 12.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.422 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 176.17 -55.99 0.11 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.555 1.159 . . . . 0.0 110.959 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -54.72 -62.47 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 0.778 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.657 ' HA ' HD12 ' A' ' 44' ' ' LEU . 30.9 mm100 -49.26 -48.24 46.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.761 ' HG3' HD11 ' A' ' 71' ' ' ILE . 30.8 ttp85 -46.78 -46.83 20.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -62.4 -36.78 83.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.72 HD13 ' HB2' ' A' ' 9' ' ' GLN . 44.5 mt -59.26 -52.01 67.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.571 ' HA ' HD11 ' A' ' 13' ' ' ILE . 96.6 mt -51.27 -52.18 20.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -63.65 -34.99 79.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.78 -38.59 86.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.323 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.404 ' C ' ' N ' ' A' ' 50' ' ' SER . 3.3 m -76.4 -65.7 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 110.416 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.1 mt -49.22 -23.75 1.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.404 ' N ' ' C ' ' A' ' 48' ' ' THR . 0.1 OUTLIER -54.3 -41.32 68.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.982 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.43 ' CZ3' ' CG ' ' A' ' 52' ' ' LYS . 47.5 p-90 -110.75 -31.87 7.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 108.006 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.562 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -59.16 -37.24 76.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.103 . . . . 0.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.562 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 66.1 m-85 -155.05 80.8 4.29 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -52.07 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.535 1.808 . . . . 0.0 110.971 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.82 110.36 15.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.47 -35.61 0.43 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.12 . . . . 0.0 111.038 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.622 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.2 pp -131.16 164.94 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.764 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.508 ' HB2' HG21 ' A' ' 76' ' ' VAL . 2.7 t60 -126.47 112.85 16.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.558 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.2 t -92.59 134.72 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.468 ' HB3' ' HE2' ' A' ' 58' ' ' HIS . 1.6 pt-20 -144.68 145.17 31.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.253 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.8 m -102.01 103.86 14.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.404 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.958 HD12 HG21 ' A' ' 72' ' ' VAL . 14.4 mt -89.62 149.88 22.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.743 ' O ' HG23 ' A' ' 64' ' ' THR . 1.7 tt0 -105.2 147.44 28.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.353 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.743 HG23 ' O ' ' A' ' 63' ' ' GLU . 1.4 p -160.99 149.93 16.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.394 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.4 -11.75 59.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.2 pttt -95.97 -38.2 10.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -101.25 -63.59 1.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.256 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.51 ' CB ' ' O ' ' A' ' 67' ' ' LYS . 1.2 mt-10 87.03 93.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 52.62 82.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.413 ' NE2' ' CG2' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -118.62 146.63 44.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.567 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.761 HD11 ' HG3' ' A' ' 42' ' ' ARG . 45.6 mt -77.19 138.61 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.958 HG21 HD12 ' A' ' 62' ' ' LEU . 2.6 t -137.34 137.16 46.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.539 HG22 ' CE2' ' A' ' 23' ' ' PHE . 4.0 mp -108.74 153.22 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.8 159.81 40.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.98 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.439 ' CE ' ' O ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -85.06 123.47 30.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.508 HG21 ' HB2' ' A' ' 58' ' ' HIS . 85.0 t -122.65 163.94 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.48 ' N ' HG12 ' A' ' 76' ' ' VAL . 26.3 t0 -135.88 150.18 49.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -58.32 -59.24 5.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -44.45 -53.39 6.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.99 -66.14 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.287 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.33 144.94 19.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.346 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.35 -46.37 10.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 109.981 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -54.83 110.0 1.49 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.557 1.161 . . . . 0.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.88 13.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.533 1.807 . . . . 0.0 111.031 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.0 t -88.79 -58.25 2.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.97 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.7 m -52.95 -60.84 2.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.977 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.531 1.144 . . . . 0.0 111.021 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m 42.61 91.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 110.0 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.3 m -140.62 -53.73 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.69 -67.07 1.14 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 t -40.58 -40.27 1.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 0.774 . . . . 0.0 110.027 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 p -73.49 -53.5 10.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.058 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.18 -38.18 0.8 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.66 -62.69 1.61 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 0.757 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.49 ' OE1' HD22 ' A' ' 44' ' ' LEU . 14.1 pt20 -68.02 -22.2 64.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -44.34 84.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -67.87 -43.59 79.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -62.69 -55.8 23.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.664 HD11 ' HA ' ' A' ' 45' ' ' ILE . 4.9 tp -54.98 -48.67 75.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -51.69 -55.11 21.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -46.62 -38.89 10.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.1 t -69.12 -46.95 77.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.2 mm -43.04 -52.71 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -48.02 -53.96 14.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.265 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -49.47 -44.7 46.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.639 HG22 ' CD1' ' A' ' 24' ' ' LEU . 35.9 mt -64.71 -61.06 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -38.51 -57.18 1.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.32 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -52.14 -52.52 51.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.629 ' HE2' HG22 ' A' ' 73' ' ' ILE . 2.6 t80 -58.46 -26.3 63.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.639 ' CD1' HG22 ' A' ' 20' ' ' ILE . 38.7 mt -85.26 -14.41 46.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -95.18 -15.58 23.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.27 117.63 23.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.999 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -69.7 -36.27 75.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 110.245 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.18 -55.02 7.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.123 . . . . 0.0 110.256 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -47.15 131.39 12.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -113.1 -26.68 8.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 110.275 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.26 158.6 43.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.542 ' O ' HG13 ' A' ' 72' ' ' VAL . 40.4 tp -122.04 161.82 22.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -132.88 118.44 18.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 34' ' ' LEU . 22.9 mt -97.07 163.87 12.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.94 149.19 92.39 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 99.81 1.29 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.424 1.749 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 58.7 m -65.52 -179.05 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 108.301 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 43.4 p -88.75 -51.37 5.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.392 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -178.8 -61.66 0.07 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.531 1.145 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.468 ' O ' ' CG ' ' A' ' 43' ' ' LYS . 24.0 t80 -58.7 -64.31 0.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 0.733 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.697 ' HA ' HD12 ' A' ' 44' ' ' LEU . 35.7 mt-30 -48.2 -28.02 2.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.436 ' CG ' HD11 ' A' ' 71' ' ' ILE . 15.8 ttp180 -65.35 -50.2 66.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 40' ' ' PHE . 5.5 ptpt -60.55 -29.01 68.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' ' 41' ' ' GLN . 49.3 mt -65.5 -47.59 75.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.664 ' HA ' HD11 ' A' ' 13' ' ' ILE . 96.6 mt -56.53 -48.16 80.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -64.15 -53.8 43.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.969 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.505 ' O ' ' CB ' ' A' ' 50' ' ' SER . 2.1 mt-30 -49.38 -52.01 31.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.346 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.473 HG21 HG12 ' A' ' 13' ' ' ILE . 10.3 m -57.12 -67.37 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.397 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.428 HD21 ' CD1' ' A' ' 20' ' ' ILE . 82.1 mt -48.72 -24.11 1.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.5 OUTLIER -54.22 -41.08 68.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.994 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.403 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 41.9 p-90 -110.64 -31.87 7.08 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.575 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -61.38 -33.99 74.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.575 ' CD1' ' HB3' ' A' ' 52' ' ' LYS . 80.5 m-85 -154.91 81.01 4.31 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -37.61 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.486 1.782 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -137.56 117.53 13.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 152.4 -36.34 0.81 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.118 . . . . 0.0 111.007 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.704 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.1 pp -130.79 164.09 34.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.361 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.534 ' HB2' HG21 ' A' ' 76' ' ' VAL . 5.7 t60 -130.42 104.84 7.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.557 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.0 t -77.0 124.8 36.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.35 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -132.77 149.34 52.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.4 m -107.34 106.16 16.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.354 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.901 HD12 HG21 ' A' ' 72' ' ' VAL . 7.0 mt -101.52 142.47 32.83 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -124.32 131.38 53.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.438 ' OG1' ' N ' ' A' ' 65' ' ' ASP . 2.9 p -129.54 -141.67 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.403 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.438 ' N ' ' OG1' ' A' ' 64' ' ' THR . 1.6 t0 -92.75 -63.38 1.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -93.04 -39.29 11.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.82 -46.79 88.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 70' ' ' HIS . 2.4 mt-10 56.28 -179.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.345 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.07 93.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.459 ' NE2' ' CG2' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -121.67 147.01 46.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.61 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.436 HD11 ' CG ' ' A' ' 42' ' ' ARG . 39.1 mt -76.94 142.73 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.901 HG21 HD12 ' A' ' 62' ' ' LEU . 9.1 t -138.38 137.85 43.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.763 ' N ' HD12 ' A' ' 73' ' ' ILE . 2.2 mp -111.58 113.34 43.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.3 t -97.77 153.06 18.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.997 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.465 ' HG3' ' CZ ' ' A' ' 23' ' ' PHE . 10.8 mtpt -76.73 129.85 36.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.534 HG21 ' HB2' ' A' ' 58' ' ' HIS . 52.6 t -129.16 148.38 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.353 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -131.65 148.24 52.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -62.72 1.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -41.87 -60.42 1.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -49.7 -66.66 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.38 110.79 22.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.241 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.12 -47.23 7.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.987 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 98.78 -147.56 18.55 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.56 1.163 . . . . 0.0 110.96 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 121.55 6.68 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.48 1.779 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 99.0 p -54.24 -21.03 8.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.008 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 74.0 m -77.8 -65.99 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.9 m 50.51 91.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 110.062 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 t -151.4 160.33 43.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 110.011 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.45 -51.34 59.29 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -44.56 -48.03 10.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 0.763 . . . . 0.0 110.008 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t -70.47 -34.99 73.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.947 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.26 -45.35 95.52 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -53.75 -42.9 68.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.568 ' HB3' HD13 ' A' ' 44' ' ' LEU . 19.7 mm-40 -77.0 -29.29 55.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.472 ' O ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -60.25 -46.36 90.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.86 -48.01 78.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.562 ' CD1' ' OE1' ' A' ' 41' ' ' GLN . 26.5 t80 -57.49 -61.95 2.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 111.042 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.625 HD11 ' HA ' ' A' ' 45' ' ' ILE . 5.1 tp -48.07 -43.33 11.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.4 -53.25 59.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -50.53 -23.45 2.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 12' ' ' PHE . 89.5 t -84.52 -43.52 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.437 ' HA ' HD12 ' A' ' 20' ' ' ILE . 7.3 mm -47.58 -58.43 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -43.0 -52.91 5.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -52.62 -42.07 64.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.506 HG22 ' CD1' ' A' ' 24' ' ' LEU . 16.5 mt -66.21 -62.8 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -42.96 -49.12 6.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.277 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -56.82 -48.7 77.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.518 ' CG ' ' HB2' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -61.32 -38.64 87.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.506 ' CD1' HG22 ' A' ' 20' ' ' ILE . 21.4 mt -72.67 -21.72 61.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -75.28 -43.41 51.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.0 149.73 46.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.969 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -92.07 -58.16 2.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -47.72 -53.15 15.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -40.91 135.97 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.24 -39.9 3.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -146.3 137.96 24.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.984 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.518 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 15.7 tp -103.36 155.94 18.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -131.46 118.28 19.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.241 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 28.4 mt -89.13 175.73 7.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -81.9 154.69 70.43 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 115.08 4.18 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.525 1.803 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 63.4 m -80.99 167.87 19.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 108.293 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.2 p -75.84 -36.21 59.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.371 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 162.41 -64.63 0.26 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -48.29 -62.93 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.776 ' HA ' HD12 ' A' ' 44' ' ' LEU . 17.1 mm-40 -51.79 -35.58 44.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.474 ' HG2' ' CE2' ' A' ' 46' ' ' TYR . 29.1 ttp180 -53.71 -47.73 70.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.442 ' HG2' ' N ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -67.87 -29.38 68.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.776 HD12 ' HA ' ' A' ' 41' ' ' GLN . 70.4 mt -65.38 -51.61 59.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.625 ' HA ' HD11 ' A' ' 13' ' ' ILE . 95.5 mt -53.3 -47.05 57.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.474 ' CE2' ' HG2' ' A' ' 42' ' ' ARG . 20.7 m-85 -63.91 -55.02 25.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -48.28 -53.17 18.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.495 HG21 HG12 ' A' ' 13' ' ' ILE . 29.9 m -56.59 -67.24 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.418 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.482 HD21 HD13 ' A' ' 20' ' ' ILE . 70.5 mt -48.7 -24.33 1.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.5 OUTLIER -54.83 -39.61 68.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.968 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.41 ' CZ3' ' HG3' ' A' ' 52' ' ' LYS . 42.8 p-90 -110.78 -32.01 7.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 108.018 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.576 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -61.95 -34.24 75.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.576 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 75.2 m-85 -155.56 81.23 3.98 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -45.61 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.64 120.42 25.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 148.95 -34.3 1.12 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.597 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.4 pp -131.66 167.53 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.536 ' HB2' HG21 ' A' ' 76' ' ' VAL . 6.1 t60 -131.27 104.34 6.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.599 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.5 t -78.53 112.91 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.36 150.46 34.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.257 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.596 HG22 ' HG3' ' A' ' 69' ' ' ARG . 73.0 m -115.68 104.85 12.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.393 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.566 ' HB2' ' CE1' ' A' ' 70' ' ' HIS . 19.8 mt -100.92 151.36 21.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -124.31 127.77 48.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.26 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.697 HG23 ' CE1' ' A' ' 70' ' ' HIS . 30.1 p -110.28 -148.09 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.409 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -92.72 -64.58 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -97.25 -37.51 10.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.424 ' CB ' ' OG1' ' A' ' 64' ' ' THR . 7.9 mttt -60.39 -31.74 70.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 53.62 -164.25 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.596 ' HG3' HG22 ' A' ' 61' ' ' THR . 0.1 OUTLIER -50.66 110.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.272 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.697 ' CE1' HG23 ' A' ' 64' ' ' THR . 16.7 p-80 -128.26 128.5 44.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.571 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 89.6 mt -70.47 136.11 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.487 ' C ' HD12 ' A' ' 73' ' ' ILE . 19.4 t -131.61 139.28 51.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.663 ' N ' HD12 ' A' ' 73' ' ' ILE . 3.5 mp -112.38 121.24 64.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.4 t -109.03 150.13 28.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.97 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -73.34 129.07 37.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.536 HG21 ' HB2' ' A' ' 58' ' ' HIS . 96.9 t -127.02 163.94 28.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.472 ' N ' HG12 ' A' ' 76' ' ' VAL . 38.8 t70 -147.15 150.27 34.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -66.64 -54.38 23.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -66.78 -70.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.349 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -42.42 -60.87 1.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.2 117.25 30.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.1 t -106.73 -48.21 3.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 117.76 128.56 4.0 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.544 1.153 . . . . 0.0 110.983 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 147.56 33.96 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.565 1.824 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.2 m -93.11 -40.13 10.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.02 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.2 -38.46 43.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.078 . . . . 0.0 110.047 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.934 0 O-C-N 124.453 1.095 . . . . 0.0 111.013 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.83 -58.83 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 0.739 . . . . 0.0 109.975 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.99 -63.17 1.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.991 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -39.07 -59.04 1.83 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.73 -66.78 0.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.748 . . . . 0.0 109.975 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.34 -55.56 1.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.988 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.14 -52.66 3.4 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.58 -50.51 17.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.76 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -68.56 -42.3 78.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -32.64 62.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -72.45 -60.23 2.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.572 ' CE2' ' HG2' ' A' ' 41' ' ' GLN . 7.6 t80 -49.62 -53.39 24.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.628 HD11 ' HA ' ' A' ' 45' ' ' ILE . 5.6 tp -55.36 -51.57 55.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.448 ' N ' HG23 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -49.43 -55.86 11.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -45.79 -40.59 9.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 19' ' ' LYS . 92.7 t -68.27 -49.06 70.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.6 mm -40.87 -42.17 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -58.79 -47.35 85.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 16' ' ' VAL . 8.0 mttm -55.91 -39.7 71.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.723 HG22 ' CD1' ' A' ' 24' ' ' LEU . 18.5 mt -70.51 -62.56 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 20' ' ' ILE . 8.1 mm-40 -38.25 -57.73 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.89 -51.82 62.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.517 ' CG ' ' HB2' ' A' ' 32' ' ' LEU . 2.4 t80 -57.09 -27.01 61.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.723 ' CD1' HG22 ' A' ' 20' ' ' ILE . 17.1 mt -86.0 -15.95 39.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -81.26 -35.41 31.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.78 145.2 47.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.981 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.6 -36.04 13.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.26 -48.83 66.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -49.77 129.34 19.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -115.49 -33.85 5.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.339 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.18 129.21 16.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.517 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 32.4 tp -96.55 162.09 13.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -129.08 114.3 16.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 34' ' ' LEU . 18.9 mt -88.71 161.49 16.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -72.97 151.4 90.65 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 109.67 2.97 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.484 1.781 . . . . 0.0 111.049 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 95.0 m -74.18 168.09 20.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 108.272 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.1 p -79.07 -44.84 21.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.38 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -179.43 -62.77 0.07 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.549 1.155 . . . . 0.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.421 ' O ' ' CG ' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -57.19 -66.04 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 0.74 . . . . 0.0 110.976 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.914 ' HA ' HD12 ' A' ' 44' ' ' LEU . 6.2 mp0 -42.42 -43.11 3.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.323 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.74 -51.7 59.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -66.93 -28.96 68.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.914 HD12 ' HA ' ' A' ' 41' ' ' GLN . 67.5 mt -65.07 -53.94 37.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.628 ' HA ' HD11 ' A' ' 13' ' ' ILE . 97.2 mt -50.37 -52.44 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -59.47 -49.87 76.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.435 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.2 OUTLIER -49.85 -52.44 32.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.268 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.427 HG23 ' HG3' ' A' ' 52' ' ' LYS . 3.5 m -61.07 -64.24 1.02 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 110.344 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.534 HD21 HD13 ' A' ' 20' ' ' ILE . 86.6 mt -48.41 -24.24 1.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.4 OUTLIER -54.21 -40.96 68.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 109.98 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.45 ' CZ3' ' CG ' ' A' ' 52' ' ' LYS . 46.1 p-90 -110.99 -32.03 6.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 108.014 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.569 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -57.84 -42.12 83.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.569 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 79.7 m-85 -151.96 79.85 6.22 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -43.04 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.499 1.789 . . . . 0.0 111.004 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.83 108.8 10.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.08 -33.49 0.43 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.468 1.105 . . . . 0.0 110.962 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.609 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.5 pp -133.79 164.07 35.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 0.79 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.444 ' N ' HG23 ' A' ' 76' ' ' VAL . 12.0 t60 -128.28 102.09 6.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.563 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.51 ' CG1' HG23 ' A' ' 71' ' ' ILE . 39.2 t -78.36 111.73 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.419 ' HB3' ' NE2' ' A' ' 58' ' ' HIS . 17.4 pt-20 -114.54 154.17 28.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.404 ' CG2' ' HG3' ' A' ' 69' ' ' ARG . 6.1 m -108.63 105.63 15.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.39 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.923 HD12 HG21 ' A' ' 72' ' ' VAL . 33.6 mt -97.88 142.26 29.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -123.52 130.88 53.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.505 ' OG1' ' CB ' ' A' ' 67' ' ' LYS . 30.2 p -129.0 -147.64 0.35 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 110.376 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.81 -63.17 1.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.0 pttt -89.41 -41.56 12.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.351 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.505 ' CB ' ' OG1' ' A' ' 64' ' ' THR . 0.0 OUTLIER -59.29 -58.88 6.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 70' ' ' HIS . 0.1 OUTLIER 71.44 -174.17 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.404 ' HG3' ' CG2' ' A' ' 61' ' ' THR . 0.0 OUTLIER -49.58 92.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.343 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.523 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -119.64 145.93 46.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.597 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.51 HG23 ' CG1' ' A' ' 59' ' ' VAL . 94.9 mt -76.65 143.34 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.264 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.923 HG21 HD12 ' A' ' 62' ' ' LEU . 3.0 t -138.42 130.38 38.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.79 ' N ' HD12 ' A' ' 73' ' ' ILE . 2.1 mp -102.29 111.98 33.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.9 m -110.99 131.51 54.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -53.56 142.86 21.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.465 HG12 ' N ' ' A' ' 77' ' ' ASP . 91.2 t -123.84 163.58 23.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.465 ' N ' HG12 ' A' ' 76' ' ' VAL . 17.3 t0 -147.94 162.85 38.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.17 -35.33 20.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.349 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -65.21 -25.77 67.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -58.71 -58.45 8.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.55 110.99 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 61.6 p -69.87 -38.12 76.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -88.73 178.98 45.73 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.128 . . . . 0.0 111.037 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 157.42 42.58 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.491 1.785 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.1 t -83.25 -60.2 2.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.009 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.64 -56.49 20.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 m -125.46 117.99 24.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.764 . . . . 0.0 109.987 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.3 t -156.83 112.96 2.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.955 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.54 -58.62 4.12 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.522 1.139 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.5 m -41.19 -67.73 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 110.033 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -58.24 -48.47 80.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.998 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.92 -34.49 0.29 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.449 1.093 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -56.04 -64.99 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.755 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.707 ' HB2' HD13 ' A' ' 44' ' ' LEU . 10.5 pt20 -69.9 -27.02 64.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -53.32 -42.08 66.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -68.5 -39.17 81.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.406 ' CZ ' ' HB3' ' A' ' 41' ' ' GLN . 9.9 t80 -65.7 -55.64 16.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.546 HD11 ' HA ' ' A' ' 45' ' ' ILE . 6.6 tp -55.93 -49.34 75.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.405 ' N ' HG23 ' A' ' 13' ' ' ILE . 11.4 t70 -50.4 -54.78 19.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -47.5 -40.39 18.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.548 HG13 HD21 ' A' ' 34' ' ' LEU . 98.4 t -67.09 -49.6 71.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.532 ' HA ' HD12 ' A' ' 20' ' ' ILE . 7.5 mm -40.68 -49.17 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -52.28 -51.02 60.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -55.51 -38.47 69.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.632 HG22 ' CD1' ' A' ' 24' ' ' LEU . 10.3 mt -66.93 -58.73 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 20' ' ' ILE . 1.2 mt-10 -36.28 -64.83 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 25' ' ' GLN . 10.1 t0 -46.51 -58.98 3.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.807 ' HB2' HD13 ' A' ' 32' ' ' LEU . 1.2 t80 -49.39 -22.17 1.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.632 ' CD1' HG22 ' A' ' 20' ' ' ILE . 23.1 mt -93.65 -28.39 16.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 22' ' ' ASP . 0.6 OUTLIER -83.5 -13.55 54.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -90.42 140.76 29.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.995 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.6 pt-20 -88.81 -37.83 15.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 29' ' ' LYS . 4.0 mt-10 -67.23 -54.84 17.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 28' ' ' GLU . 26.4 mttt -40.16 127.18 2.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -116.39 -33.16 5.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 110.34 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.32 123.34 11.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.993 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.807 HD13 ' HB2' ' A' ' 23' ' ' PHE . 20.5 tp -88.79 147.17 24.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.071 . . . . 0.0 109.354 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -124.42 117.22 23.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.548 HD21 HG13 ' A' ' 16' ' ' VAL . 31.0 mt -96.15 174.82 6.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -83.42 150.03 59.29 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 123.43 7.91 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.525 1.802 . . . . 0.0 110.973 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 87.2 m -90.1 157.1 17.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 108.349 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.9 t -65.85 -25.77 67.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.375 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 151.53 -48.73 0.55 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.111 . . . . 0.0 111.042 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.86 -64.45 0.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 0.772 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.577 ' HA ' HD12 ' A' ' 44' ' ' LEU . 0.9 OUTLIER -50.75 -31.35 16.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.647 ' HG2' HD11 ' A' ' 71' ' ' ILE . 8.6 ttp180 -59.71 -52.13 66.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 110.256 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.24 -35.09 71.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 109.344 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.707 HD13 ' HB2' ' A' ' 9' ' ' GLN . 45.7 mt -59.71 -60.93 3.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.546 ' HA ' HD11 ' A' ' 13' ' ' ILE . 97.4 mt -43.28 -55.08 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -62.02 -34.3 75.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.978 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -66.82 -36.53 82.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.445 HG23 ' HG3' ' A' ' 52' ' ' LYS . 3.7 m -78.89 -65.22 1.02 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.406 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 64.6 mt -48.47 -24.31 1.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.5 -42.06 66.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.993 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.417 ' CZ3' ' CG ' ' A' ' 52' ' ' LYS . 47.1 p-90 -110.61 -31.58 7.18 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.568 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -59.37 -38.37 80.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.251 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.568 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 64.9 m-85 -152.75 80.24 5.64 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -41.16 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.496 1.788 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.33 113.13 11.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.09 -32.43 0.55 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.581 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.3 pp -132.03 166.91 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.428 ' HB2' HG21 ' A' ' 76' ' ' VAL . 4.6 t60 -128.37 111.67 13.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.591 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.3 t -91.01 131.55 37.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.406 ' CD ' ' HE2' ' A' ' 58' ' ' HIS . 5.8 pt-20 -141.64 151.23 42.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.463 ' CG2' ' HG2' ' A' ' 69' ' ' ARG . 98.3 m -103.6 105.21 15.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.425 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.822 HD12 HG21 ' A' ' 72' ' ' VAL . 16.7 mt -99.62 139.29 35.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.349 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -124.29 127.91 48.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.297 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.506 ' OG1' ' CB ' ' A' ' 67' ' ' LYS . 23.7 p -120.8 -149.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.388 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -92.75 -63.19 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -89.27 -42.14 11.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.506 ' CB ' ' OG1' ' A' ' 64' ' ' THR . 1.6 tttt -58.26 -49.96 75.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 68.15 168.67 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.463 ' HG2' ' CG2' ' A' ' 61' ' ' THR . 0.0 OUTLIER -45.28 108.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.245 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.425 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER -136.69 145.47 44.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 109.623 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.647 HD11 ' HG2' ' A' ' 42' ' ' ARG . 92.1 mt -69.36 134.71 29.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.822 HG21 HD12 ' A' ' 62' ' ' LEU . 2.9 t -133.79 136.81 53.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.481 HG22 ' CE2' ' A' ' 23' ' ' PHE . 4.1 mp -110.08 153.61 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.75 161.67 35.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -83.76 124.25 30.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.428 HG21 ' HB2' ' A' ' 58' ' ' HIS . 61.8 t -123.78 157.09 30.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -137.82 150.21 46.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.79 -63.04 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -41.82 -57.22 2.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.278 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.9 -69.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.344 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.82 122.44 8.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 110.349 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.7 t -60.11 -49.83 76.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 109.975 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 146.52 149.07 4.9 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.532 1.145 . . . . 0.0 110.96 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 83.35 1.84 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.496 1.787 . . . . 0.0 111.052 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.6 t -59.55 -61.61 2.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.017 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.6 t -52.87 -56.32 16.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.95 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.46 151.41 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 0.791 . . . . 0.0 110.003 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.9 m -69.7 -56.59 6.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 110.026 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.47 -57.69 8.06 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.443 1.09 . . . . 0.0 110.958 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -43.2 -60.62 1.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 0.764 . . . . 0.0 110.028 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.07 -63.49 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.978 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.76 -45.62 3.66 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.509 1.131 . . . . 0.0 111.067 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -42.75 -56.95 2.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.763 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.558 ' HB3' HD13 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -76.33 -36.6 58.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.354 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.447 ' O ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -50.25 -41.07 49.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -68.6 -45.47 71.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.473 ' O ' HG23 ' A' ' 16' ' ' VAL . 15.8 t80 -57.71 -57.63 11.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.638 HD11 ' HA ' ' A' ' 45' ' ' ILE . 4.8 tp -53.18 -43.84 50.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.355 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.7 -57.03 13.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -45.17 -37.64 4.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.263 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 12' ' ' PHE . 60.6 t -68.72 -49.12 67.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.1 mm -42.27 -46.37 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -52.5 -49.57 64.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -56.6 -47.69 79.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.539 HG22 HD11 ' A' ' 24' ' ' LEU . 5.7 mt -59.2 -63.85 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -39.29 -54.76 1.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -54.81 -53.0 60.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.632 ' HB2' HD13 ' A' ' 32' ' ' LEU . 1.1 t80 -55.05 -37.4 66.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.539 HD11 HG22 ' A' ' 20' ' ' ILE . 27.2 mt -70.42 -34.73 72.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -63.73 -47.65 80.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.32 145.55 31.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.036 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.43 -54.42 3.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -51.53 -51.12 57.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.355 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 28' ' ' GLU . 19.1 mttt -40.25 129.42 2.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -117.17 -35.61 4.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.3 124.76 12.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.981 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.632 HD13 ' HB2' ' A' ' 23' ' ' PHE . 21.3 tp -91.58 151.86 20.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.244 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -126.11 118.94 26.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.341 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.7 mt -94.0 173.56 7.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.16 153.0 66.05 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.97 4.74 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.525 1.803 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 85.9 m -82.79 175.81 9.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 108.271 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.0 p -81.83 -39.3 24.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.36 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 165.51 -61.67 0.23 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -50.72 -63.89 0.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 111.048 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.73 ' HA ' HD12 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -48.69 -43.84 37.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.266 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.846 ' HG3' HD11 ' A' ' 71' ' ' ILE . 2.0 tpp180 -47.85 -46.29 31.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.438 ' HG2' ' N ' ' A' ' 44' ' ' LEU . 0.7 OUTLIER -69.12 -27.84 65.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.73 HD12 ' HA ' ' A' ' 41' ' ' GLN . 61.0 mt -69.27 -46.69 66.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.638 ' HA ' HD11 ' A' ' 13' ' ' ILE . 88.2 mt -57.91 -42.38 82.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -68.25 -57.54 5.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.112 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.495 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -45.01 -53.04 8.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.137 . . . . 0.0 110.281 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.502 HG23 ' HG3' ' A' ' 52' ' ' LYS . 3.4 m -56.75 -70.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.383 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.408 HD21 HD13 ' A' ' 20' ' ' ILE . 93.0 mt -45.81 -25.84 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.4 OUTLIER -53.62 -40.52 65.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.052 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.437 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 43.6 p-90 -111.11 -32.15 6.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 108.008 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.578 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -60.78 -34.81 75.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.578 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 78.5 m-85 -155.83 81.63 3.81 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -39.34 1.26 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.514 1.797 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.97 115.29 12.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 155.57 -37.37 0.63 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.694 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.3 pp -128.46 162.52 34.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.596 ' HE2' ' CD ' ' A' ' 60' ' ' GLU . 2.0 t60 -125.45 111.99 15.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.587 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 41.0 t -90.46 130.26 39.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.596 ' CD ' ' HE2' ' A' ' 58' ' ' HIS . 5.9 pt-20 -141.27 147.1 37.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.48 ' CG2' ' HG2' ' A' ' 69' ' ' ARG . 23.5 m -105.9 109.86 21.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.35 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.532 HD12 HG21 ' A' ' 72' ' ' VAL . 6.1 mt -107.29 144.15 34.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -123.91 128.8 49.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.103 . . . . 0.0 110.302 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.5 p -119.93 -142.41 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -92.71 -62.95 1.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -95.32 -37.26 11.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 68' ' ' GLU . 0.5 OUTLIER -66.43 -25.12 66.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 67' ' ' LYS . 0.4 OUTLIER 42.61 -165.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.585 1.178 . . . . 0.0 110.311 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.48 ' HG2' ' CG2' ' A' ' 61' ' ' THR . 0.4 OUTLIER -63.11 100.35 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.439 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER -125.79 144.34 50.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.58 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.846 HD11 ' HG3' ' A' ' 42' ' ' ARG . 28.9 mt -71.54 135.99 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.532 HG21 HD12 ' A' ' 62' ' ' LEU . 2.9 t -134.04 137.29 52.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.1 mp -110.2 153.5 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.77 159.74 40.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.956 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -82.11 122.94 28.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.491 HG21 ' HB2' ' A' ' 58' ' ' HIS . 93.6 t -121.65 163.37 19.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.46 ' N ' HG12 ' A' ' 76' ' ' VAL . 7.3 t0 -151.98 162.48 41.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.28 -48.14 44.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -66.62 -22.52 66.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -66.27 -65.99 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.304 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -64.96 137.23 57.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.4 t -98.18 -49.15 4.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.008 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -41.79 118.04 1.4 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 165.74 30.68 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.458 1.767 . . . . 0.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.8 p -74.32 -59.74 2.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.989 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.16 -63.3 1.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.018 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.47 1.107 . . . . 0.0 110.985 179.96 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -120.28 83.64 2.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 0.778 . . . . 0.0 110.002 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.95 138.65 54.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.048 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.83 -58.42 3.25 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.48 -31.95 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 0.786 . . . . 0.0 109.968 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 t -92.64 -46.29 7.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.987 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.39 -26.26 2.34 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.12 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -66.67 -61.91 1.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.834 ' HB2' HD13 ' A' ' 44' ' ' LEU . 10.5 pt20 -68.33 -25.11 64.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -38.83 71.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.6 mttt -72.87 -39.88 66.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.068 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.446 ' CE2' ' HG2' ' A' ' 41' ' ' GLN . 9.5 t80 -63.73 -54.24 38.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.44 HD11 ' HA ' ' A' ' 45' ' ' ILE . 7.2 tp -55.57 -50.93 63.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.427 ' N ' HG23 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -49.43 -56.34 10.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.275 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -46.44 -39.52 10.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.296 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 12' ' ' PHE . 89.9 t -68.93 -48.08 72.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.42 ' HA ' HD12 ' A' ' 20' ' ' ILE . 8.2 mm -40.53 -49.55 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -50.74 -56.5 11.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -51.05 -45.64 61.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.449 HG22 ' CD1' ' A' ' 24' ' ' LEU . 29.7 mt -58.53 -55.96 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -50.98 -57.74 7.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -48.64 -45.74 38.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.78 ' HB2' HD13 ' A' ' 32' ' ' LEU . 0.9 OUTLIER -63.66 -43.07 97.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.967 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.449 ' CD1' HG22 ' A' ' 20' ' ' ILE . 27.2 mt -65.68 -33.13 75.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -59.4 -54.75 43.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.31 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.55 147.52 21.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -92.51 -65.31 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -41.15 -44.65 2.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.1 mttm -40.17 132.99 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.02 -38.47 3.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.78 137.09 24.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.987 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.78 HD13 ' HB2' ' A' ' 23' ' ' PHE . 17.1 tp -104.26 154.97 19.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -122.59 124.22 42.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.466 HD12 HD11 ' A' ' 73' ' ' ILE . 30.4 mt -100.19 171.39 7.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -78.05 152.33 79.47 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 118.11 5.15 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.543 1.812 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 33.7 m -82.38 157.41 23.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 108.286 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.407 HG22 ' H ' ' A' ' 38' ' ' THR . 0.9 OUTLIER -75.04 -24.55 58.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.397 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 153.34 -65.52 0.34 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.466 1.104 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -52.26 -63.45 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.498 ' HA ' HD12 ' A' ' 44' ' ' LEU . 1.3 mp0 -48.25 -42.46 30.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.72 -53.01 20.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.3 mttt -57.91 -40.94 81.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.834 HD13 ' HB2' ' A' ' 9' ' ' GLN . 32.4 mt -52.79 -55.4 23.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.44 ' HA ' HD11 ' A' ' 13' ' ' ILE . 96.8 mt -47.85 -59.74 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.404 ' OH ' ' OG1' ' A' ' 61' ' ' THR . 20.5 m-85 -55.34 -37.57 67.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.39 -48.3 80.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.601 HG23 ' HG3' ' A' ' 52' ' ' LYS . 2.3 m -66.96 -59.37 3.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.333 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.6 mt -50.89 -22.3 2.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.1 -41.93 72.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.506 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 48.1 p-90 -110.61 -31.93 7.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 107.997 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.601 ' HG3' HG23 ' A' ' 48' ' ' THR . 0.1 OUTLIER -59.91 -37.53 79.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.572 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 52.8 m-85 -158.44 79.96 3.03 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -45.37 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.48 1.779 . . . . 0.0 111.004 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.2 120.12 24.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 148.71 -32.45 1.2 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.701 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.3 pp -132.11 162.04 40.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 0.76 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.49 ' HB2' HG21 ' A' ' 76' ' ' VAL . 1.6 t60 -125.93 113.94 17.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.633 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.5 t -94.31 125.42 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.69 151.96 49.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.44 ' CG2' ' HG2' ' A' ' 69' ' ' ARG . 47.4 m -106.12 105.88 16.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.425 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.92 HD12 HG21 ' A' ' 72' ' ' VAL . 19.7 mt -99.19 141.7 31.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -124.2 131.43 53.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.428 ' OG1' ' N ' ' A' ' 65' ' ' ASP . 4.7 p -131.13 -139.73 0.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.428 ' N ' ' OG1' ' A' ' 64' ' ' THR . 6.7 t70 -92.63 -63.32 1.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.358 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.38 -37.74 10.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.405 ' O ' ' CG ' ' A' ' 68' ' ' GLU . 0.6 OUTLIER -63.8 -33.27 75.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 10.2 pt-20 43.68 -166.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.272 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.44 ' HG2' ' CG2' ' A' ' 61' ' ' THR . 1.3 ttt180 -57.68 89.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.469 ' NE2' ' CG2' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -116.47 146.61 42.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.583 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.8 mt -74.59 141.81 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.92 HG21 HD12 ' A' ' 62' ' ' LEU . 4.2 t -138.22 135.66 44.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.426 1.079 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.612 ' N ' HD12 ' A' ' 73' ' ' ILE . 3.6 mp -108.77 148.07 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 t -136.25 157.35 47.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 110.0 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.562 ' HE3' ' CE1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -80.67 125.82 30.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.49 HG21 ' HB2' ' A' ' 58' ' ' HIS . 61.3 t -121.46 156.71 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -155.5 22.35 0.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 109.269 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.423 ' H ' HG12 ' A' ' 76' ' ' VAL . 38.6 mm-40 -57.08 -71.83 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -40.37 -45.9 2.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -65.39 -62.13 1.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -59.65 161.23 6.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 37.8 m -67.38 -49.37 64.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.986 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 62.04 -145.51 49.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.427 1.079 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 179.78 5.74 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.781 . . . . 0.0 111.005 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.1 t -58.2 -60.22 4.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.034 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.2 t -44.75 -58.43 3.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.961 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 54.97 93.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 0.765 . . . . 0.0 109.99 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.4 p -117.17 169.38 9.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.03 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.15 -67.37 1.99 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.445 1.091 . . . . 0.0 111.034 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m -40.28 -63.3 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 0.776 . . . . 0.0 109.992 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 9' ' ' GLN . 27.0 m -52.12 -57.33 9.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.976 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -41.16 -27.89 0.25 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.412 ' N ' ' C ' ' A' ' 6' ' ' SER . 2.2 t70 -65.83 -50.8 63.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 0.778 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.623 ' HB2' HD13 ' A' ' 44' ' ' LEU . 20.2 pt20 -86.04 -15.79 40.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -40.95 91.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -70.25 -40.12 74.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.441 ' CD1' ' N ' ' A' ' 13' ' ' ILE . 1.9 t80 -63.74 -53.54 49.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.528 ' CG1' HG21 ' A' ' 48' ' ' THR . 6.6 tp -57.93 -48.67 83.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.14 -53.14 37.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -50.29 -38.55 41.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.319 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.644 HG13 HD21 ' A' ' 34' ' ' LEU . 88.7 t -67.93 -50.13 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 16' ' ' VAL . 5.9 mm -40.12 -51.69 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -49.48 -49.13 46.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 110.271 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -56.56 -47.71 78.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.535 ' CD1' HD21 ' A' ' 49' ' ' LEU . 69.1 mt -61.54 -66.96 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 20' ' ' ILE . 4.4 mm-40 -38.81 -51.34 1.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.239 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -57.3 -50.33 73.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.519 ' CG ' ' HB2' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -59.2 -35.16 73.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.501 ' CD1' HG22 ' A' ' 20' ' ' ILE . 36.6 mt -75.68 -25.98 57.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -69.48 -45.52 68.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.295 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 t -60.79 144.3 52.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.996 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -90.54 -39.7 12.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.322 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -66.37 -54.34 25.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 110.259 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -40.37 128.34 2.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -111.95 -34.67 5.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.37 144.66 30.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.519 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 37.5 tp -114.08 153.72 28.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -125.5 116.39 21.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.644 HD21 HG13 ' A' ' 16' ' ' VAL . 27.3 mt -85.48 175.5 8.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -78.2 157.13 78.63 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.353 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 117.49 4.93 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.526 1.803 . . . . 0.0 110.972 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 61.7 m -83.45 169.26 15.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 108.331 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.97 -33.29 14.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.371 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 164.29 -64.14 0.24 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.5 -63.28 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.612 ' HA ' HD12 ' A' ' 44' ' ' LEU . 10.5 mt-30 -45.74 -52.37 11.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.278 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.782 ' HG3' HD11 ' A' ' 71' ' ' ILE . 50.2 ttp85 -42.02 -53.47 3.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.347 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.88 -38.45 70.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.623 HD13 ' HB2' ' A' ' 9' ' ' GLN . 33.2 mt -60.66 -60.2 4.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 92.8 mt -42.92 -58.49 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -56.48 -40.38 74.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.1 OUTLIER -60.45 -54.0 50.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.528 HG21 ' CG1' ' A' ' 13' ' ' ILE . 3.2 m -58.74 -59.19 5.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.39 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.535 HD21 ' CD1' ' A' ' 20' ' ' ILE . 76.1 mt -53.74 -20.13 5.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 1.3 t -57.96 -39.56 78.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 110.012 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.474 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 42.3 p-90 -111.88 -32.68 6.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 108.006 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.562 ' HB3' ' CE2' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -60.15 -31.24 69.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 64.4 m-85 -158.0 82.1 2.92 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -46.44 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.533 1.807 . . . . 0.0 110.965 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.15 117.21 18.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 154.78 -38.86 0.65 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.526 1.142 . . . . 0.0 111.011 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.674 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.1 pp -129.2 168.49 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.256 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.64 ' HB2' HG21 ' A' ' 76' ' ' VAL . 1.9 t60 -134.23 109.58 8.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.574 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 56.8 t -82.25 125.05 39.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.43 1.081 . . . . 0.0 109.313 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.409 ' OE1' ' CD2' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -135.99 146.63 47.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 13.2 m -101.61 104.43 15.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.419 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.811 HD12 HG21 ' A' ' 72' ' ' VAL . 55.6 mt -88.97 152.89 21.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.476 ' HG2' ' N ' ' A' ' 64' ' ' THR . 6.6 tt0 -93.94 146.02 24.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.476 ' N ' ' HG2' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -117.37 -161.17 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.379 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -90.08 -63.86 1.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -95.25 -38.65 10.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.475 ' O ' ' CB ' ' A' ' 68' ' ' GLU . 4.3 mttt -53.03 -47.94 67.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.475 ' CB ' ' O ' ' A' ' 67' ' ' LYS . 13.2 tt0 85.15 -17.44 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.474 ' C ' ' CD ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER 178.65 155.35 0.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.499 ' NE2' ' CG2' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -167.04 145.18 4.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.613 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.782 HD11 ' HG3' ' A' ' 42' ' ' ARG . 38.6 mt -75.16 141.8 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.811 HG21 HD12 ' A' ' 62' ' ' LEU . 3.7 t -138.46 146.86 25.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.8 HD12 ' C ' ' A' ' 72' ' ' VAL . 2.0 mp -119.21 122.48 69.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.7 t -108.87 153.57 23.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.991 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.37 128.09 33.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.64 HG21 ' HB2' ' A' ' 58' ' ' HIS . 92.6 t -127.59 163.06 31.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.46 ' N ' HG12 ' A' ' 76' ' ' VAL . 38.2 t70 -140.11 156.28 46.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.5 -59.32 5.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.98 -57.48 3.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.07 -66.78 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.7 114.43 28.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.63 -48.26 11.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.021 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 147.83 -170.01 28.56 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 99.14 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 92.7 p -39.77 -42.71 1.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.024 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.78 -62.39 1.43 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.965 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.488 1.117 . . . . 0.0 111.027 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.88 121.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.752 . . . . 0.0 110.005 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.4 m 49.36 90.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.978 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.63 -61.67 1.22 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -66.89 -39.63 87.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 110.004 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.18 -49.91 14.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.006 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.06 -32.18 0.36 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.67 -65.05 0.75 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 0.73 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.74 ' HB2' HD13 ' A' ' 44' ' ' LEU . 20.4 pt20 -66.23 -29.75 70.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -36.18 61.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.4 mmtt -76.1 -39.86 54.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.533 ' CE2' ' HG2' ' A' ' 41' ' ' GLN . 9.4 t80 -62.62 -53.81 49.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.566 ' CG1' HG21 ' A' ' 48' ' ' THR . 6.4 tp -54.68 -53.01 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.476 ' N ' HG23 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -49.35 -54.25 18.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -48.56 -37.07 16.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.293 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 12' ' ' PHE . 96.6 t -72.32 -48.58 47.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.434 ' HA ' HD12 ' A' ' 20' ' ' ILE . 9.3 mm -40.19 -46.37 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -52.09 -48.77 64.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 16' ' ' VAL . 21.6 mttt -56.67 -44.9 81.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.542 HG22 ' CD1' ' A' ' 24' ' ' LEU . 14.3 mt -62.11 -63.66 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.165 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -38.68 -56.25 1.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -54.52 -53.58 52.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.522 ' CG ' ' HB2' ' A' ' 32' ' ' LEU . 1.3 t80 -53.87 -36.18 62.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.542 ' CD1' HG22 ' A' ' 20' ' ' ILE . 28.6 mt -72.3 -40.41 67.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -56.55 -51.32 69.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.255 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.401 ' CB ' ' HD2' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -54.99 146.78 16.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.0 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -92.27 -57.14 2.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -49.17 -50.97 35.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.401 ' HD2' ' CB ' ' A' ' 26' ' ' SER . 22.3 mttp -40.3 126.05 2.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.8 mmt-85 -115.89 -33.58 5.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.122 . . . . 0.0 110.289 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.06 129.39 16.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.522 ' HB2' ' CG ' ' A' ' 23' ' ' PHE . 34.2 tp -97.17 151.49 19.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -127.93 120.69 28.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.356 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 26.6 mt -91.96 175.93 6.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.282 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -86.64 152.72 54.79 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 110.61 3.15 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.525 1.803 . . . . 0.0 110.949 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.4 p -86.76 -168.55 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 108.324 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.414 ' OG1' ' N ' ' A' ' 39' ' ' GLY . 31.1 p -85.1 -62.24 1.58 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.443 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.414 ' N ' ' OG1' ' A' ' 38' ' ' THR . . . -178.39 -63.47 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -41.04 -61.91 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 0.0 111.013 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.533 ' HG2' ' CE2' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -49.29 -47.49 46.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.779 ' HG2' HD11 ' A' ' 71' ' ' ILE . 10.9 ttp180 -43.96 -50.34 8.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -60.44 -39.73 88.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.74 HD13 ' HB2' ' A' ' 9' ' ' GLN . 28.6 mt -59.61 -48.26 82.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 67.0 mt -53.49 -57.53 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -57.76 -42.85 84.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.483 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.4 OUTLIER -57.39 -52.43 65.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.616 HG23 ' HG3' ' A' ' 52' ' ' LYS . 2.3 m -59.73 -63.04 1.44 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.137 . . . . 0.0 110.391 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.4 mt -49.52 -23.36 1.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 1.0 OUTLIER -54.37 -41.9 69.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.521 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 48.7 p-90 -110.77 -32.28 6.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 107.98 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.616 ' HG3' HG23 ' A' ' 48' ' ' THR . 0.0 OUTLIER -59.02 -36.99 75.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.57 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 58.8 m-85 -156.69 79.51 3.78 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -38.29 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.485 1.781 . . . . 0.0 111.033 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.31 117.79 14.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 151.96 -36.99 0.82 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.477 1.11 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.679 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.1 pp -129.47 165.95 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.536 ' HB2' HG21 ' A' ' 76' ' ' VAL . 1.6 t60 -126.99 118.24 24.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.613 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 62.1 t -97.11 133.39 38.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.448 ' OE1' ' NE2' ' A' ' 58' ' ' HIS . 2.4 pt-20 -142.09 139.78 32.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.55 ' O ' HD13 ' A' ' 62' ' ' LEU . 1.9 m -111.02 125.88 54.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.359 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.918 HD22 ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -126.57 148.81 49.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -116.97 128.12 54.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.34 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.449 ' OG1' ' CB ' ' A' ' 67' ' ' LYS . 50.4 p -112.59 -143.57 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 110.45 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -92.47 -64.52 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.0 pttt -97.1 -37.08 10.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.265 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.449 ' CB ' ' OG1' ' A' ' 64' ' ' THR . 0.8 OUTLIER -61.49 -32.04 72.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 51.69 -171.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 33.4 mtt85 -52.78 99.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.567 ' CE1' ' CG2' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -118.49 147.92 43.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.524 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.779 HD11 ' HG2' ' A' ' 42' ' ' ARG . 72.1 mt -86.31 141.22 14.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.567 ' CG2' ' CE1' ' A' ' 70' ' ' HIS . 3.9 t -138.01 137.21 44.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.177 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.404 ' N ' HD12 ' A' ' 73' ' ' ILE . 3.8 mp -109.91 154.71 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.69 163.11 31.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.004 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -86.81 122.15 30.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.253 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.536 HG21 ' HB2' ' A' ' 58' ' ' HIS . 94.0 t -123.07 165.65 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.511 ' N ' HG12 ' A' ' 76' ' ' VAL . 1.8 t70 -149.11 159.53 44.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.46 -70.01 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.258 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -45.68 -52.78 10.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -38.91 -57.55 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -64.12 131.46 47.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.99 -49.91 5.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.961 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -51.5 157.5 2.93 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 176.59 9.71 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.788 . . . . 0.0 111.006 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 54.9 p -93.41 -57.44 2.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.0 m -78.5 -57.79 3.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.998 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 t 60.59 90.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 109.946 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.8 m -157.95 88.58 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.97 -68.5 1.43 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.542 1.151 . . . . 0.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -72.75 -63.86 1.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 0.752 . . . . 0.0 110.025 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.78 -48.85 20.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 109.979 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.03 -26.28 1.2 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.584 1.177 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -70.18 -55.29 9.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 109.341 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.805 ' HB2' HD13 ' A' ' 44' ' ' LEU . 0.8 OUTLIER -74.52 -15.45 60.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.51 -42.17 78.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -71.64 -36.15 70.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.544 ' CE2' ' HG2' ' A' ' 41' ' ' GLN . 9.3 t80 -67.68 -55.84 11.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.636 HD11 ' HA ' ' A' ' 45' ' ' ILE . 6.3 tp -53.89 -52.47 35.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.464 ' N ' HG23 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -47.95 -56.89 6.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -45.68 -40.14 8.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.331 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 19' ' ' LYS . 95.3 t -70.96 -46.33 68.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.0 mm -41.71 -39.34 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -60.79 -46.6 89.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 16' ' ' VAL . 8.7 mttm -58.01 -47.91 81.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.78 HG22 ' CD1' ' A' ' 24' ' ' LEU . 72.7 mt -61.84 -61.88 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' ILE . 1.7 mt-10 -37.07 -63.38 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.79 -56.07 9.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.581 ' CE1' ' HE3' ' A' ' 75' ' ' LYS . 1.9 t80 -51.81 -36.66 48.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.78 ' CD1' HG22 ' A' ' 20' ' ' ILE . 18.1 mt -73.27 -36.59 66.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -63.77 -46.28 85.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.9 145.84 39.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.964 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -92.51 -53.99 3.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -51.54 -49.49 61.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -41.12 132.16 2.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.03 -40.21 3.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.353 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -144.97 125.0 13.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.996 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.566 ' HB2' ' CD1' ' A' ' 23' ' ' PHE . 14.9 tp -96.37 130.06 43.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -103.83 120.87 41.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 34' ' ' LEU . 27.0 mt -91.85 170.69 9.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -83.84 148.49 54.36 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 114.56 4.05 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.43 1.753 . . . . 0.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.6 p -90.19 -158.85 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 108.308 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 39' ' ' GLY . 20.9 p -85.75 -61.64 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.377 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.448 ' N ' ' OG1' ' A' ' 38' ' ' THR . . . 175.77 -49.5 0.12 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.461 1.101 . . . . 0.0 111.046 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -54.23 -59.54 4.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 111.006 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.726 ' HA ' HD12 ' A' ' 44' ' ' LEU . 5.8 mp0 -49.73 -51.42 38.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.823 ' HG3' HD11 ' A' ' 71' ' ' ILE . 25.5 ttp85 -42.37 -50.88 5.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.325 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -58.19 -38.9 77.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.805 HD13 ' HB2' ' A' ' 9' ' ' GLN . 34.8 mt -59.56 -50.39 74.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.636 ' HA ' HD11 ' A' ' 13' ' ' ILE . 91.3 mt -52.86 -58.03 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.148 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.599 ' CZ ' HG12 ' A' ' 59' ' ' VAL . 17.4 m-85 -54.72 -44.36 73.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.507 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -57.97 -53.12 61.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.253 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.416 HG23 ' HG3' ' A' ' 52' ' ' LYS . 1.4 m -58.07 -59.81 4.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.397 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.614 HD21 ' CD1' ' A' ' 20' ' ' ILE . 59.5 mt -54.54 -19.99 6.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 1.0 OUTLIER -58.35 -38.07 76.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.994 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.553 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 54.4 p-90 -111.93 -32.25 6.66 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.586 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.7 OUTLIER -61.92 -31.84 72.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.586 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 63.3 m-85 -160.5 84.07 2.02 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -35.82 2.97 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.518 1.799 . . . . 0.0 110.974 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.3 104.64 5.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 175.25 -46.04 0.13 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.51 HD11 ' CB ' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -131.34 -178.06 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 109.327 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.815 ' HB2' HG21 ' A' ' 76' ' ' VAL . 1.8 t-160 -142.12 110.59 6.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.564 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.694 HG13 HG23 ' A' ' 71' ' ' ILE . 22.0 t -83.63 127.49 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -139.24 140.99 37.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.361 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.4 m -96.15 104.66 16.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 110.4 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.829 HD12 HG21 ' A' ' 72' ' ' VAL . 35.9 mt -97.28 134.51 40.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -114.5 128.13 56.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.509 ' OG1' ' CB ' ' A' ' 67' ' ' LYS . 30.3 p -123.18 -147.25 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 0.0 110.431 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -88.44 -63.32 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.234 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -95.4 -39.15 10.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.509 ' CB ' ' OG1' ' A' ' 64' ' ' THR . 0.0 OUTLIER -58.72 -48.34 81.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 69' ' ' ARG . 41.7 mt-10 59.88 169.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.461 ' CG ' ' O ' ' A' ' 69' ' ' ARG . 17.6 ptt180 -38.36 107.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.457 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.2 OUTLIER -136.23 143.28 44.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.628 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.823 HD11 ' HG3' ' A' ' 42' ' ' ARG . 86.9 mt -69.0 138.99 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.829 HG21 HD12 ' A' ' 62' ' ' LEU . 2.6 t -133.85 131.14 56.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.61 ' N ' HD12 ' A' ' 73' ' ' ILE . 3.9 mp -104.24 111.95 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.508 ' O ' HG23 ' A' ' 76' ' ' VAL . 2.1 m -109.0 129.36 55.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.964 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.581 ' HE3' ' CE1' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -53.52 132.11 39.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.815 HG21 ' HB2' ' A' ' 58' ' ' HIS . 53.2 t -128.72 165.62 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.488 ' N ' HG12 ' A' ' 76' ' ' VAL . 3.7 t70 -148.58 167.48 25.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.38 -60.16 2.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.41 ' OE1' ' N ' ' A' ' 80' ' ' GLU . 0.1 OUTLIER -42.01 -37.62 1.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.241 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.41 ' N ' ' OE1' ' A' ' 79' ' ' GLU . 0.3 OUTLIER -49.0 -59.96 3.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 110.24 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.49 141.52 38.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.3 t -61.56 -49.95 74.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.016 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 129.09 111.27 1.53 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 99.85 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.435 1.755 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 57.9 p -46.27 -59.29 3.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.959 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.3 m -71.26 -59.95 2.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.016 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.47 1.107 . . . . 0.0 110.978 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t 67.44 123.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.763 . . . . 0.0 109.995 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.88 157.17 17.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.944 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.33 -69.03 1.46 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.48 1.113 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.3 -63.19 1.0 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 0.773 . . . . 0.0 110.002 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.3 t -40.24 -57.5 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.949 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.46 -47.5 87.68 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.473 1.108 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -54.49 -55.41 29.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 0.769 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.547 ' HB3' HD13 ' A' ' 44' ' ' LEU . 15.5 mm100 -64.75 -19.89 66.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.54 -35.65 79.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.7 mttp -75.81 -37.94 58.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.564 ' CE2' ' HG2' ' A' ' 41' ' ' GLN . 4.3 t80 -64.56 -51.87 60.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.602 HD11 ' HA ' ' A' ' 45' ' ' ILE . 4.9 tp -58.35 -53.8 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.48 ' N ' HG23 ' A' ' 13' ' ' ILE . 11.0 t0 -45.88 -54.54 8.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -48.02 -44.0 30.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 12' ' ' PHE . 96.1 t -62.43 -51.01 77.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 16' ' ' VAL . 6.8 mm -39.91 -55.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -41.49 -50.54 3.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.27 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -60.71 -45.09 95.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.674 HD13 HD21 ' A' ' 49' ' ' LEU . 72.0 mt -59.96 -66.25 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -38.61 -57.61 1.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.5 -54.77 28.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.569 ' HB2' HD13 ' A' ' 32' ' ' LEU . 2.2 t80 -53.27 -37.26 62.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.539 HD21 HG21 ' A' ' 57' ' ' ILE . 35.2 mt -71.71 -32.23 67.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -68.5 -58.81 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.242 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.26 147.23 1.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.988 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.14 -59.57 2.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.71 -47.9 20.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -42.39 127.89 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -117.42 -35.66 3.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.0 129.7 17.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.963 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.569 HD13 ' HB2' ' A' ' 23' ' ' PHE . 26.5 tp -96.35 157.57 15.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.429 ' HG2' HG22 ' A' ' 72' ' ' VAL . 32.6 mt-10 -131.08 128.32 39.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 34' ' ' LEU . 22.3 mt -104.81 166.36 10.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.19 155.67 92.79 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 116.99 4.75 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.471 1.774 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 37.6 m -90.08 175.36 7.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 108.299 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.0 t -89.23 -23.51 22.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.077 . . . . 0.0 110.404 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.13 -74.06 0.27 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.566 ' CD1' ' HD3' ' A' ' 43' ' ' LYS . 43.2 t80 -37.5 -62.3 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 0.752 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.694 ' HA ' HD12 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -42.21 -52.46 4.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -45.75 -50.53 13.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.566 ' HD3' ' CD1' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -58.47 -29.65 66.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.581 1.175 . . . . 0.0 109.334 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.694 HD12 ' HA ' ' A' ' 41' ' ' GLN . 26.7 mt -71.1 -48.63 51.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.602 ' HA ' HD11 ' A' ' 13' ' ' ILE . 89.6 mt -58.41 -48.62 84.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -63.34 -36.39 83.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.497 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.7 OUTLIER -62.3 -52.5 63.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.324 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.478 HG23 ' HE2' ' A' ' 52' ' ' LYS . 1.0 OUTLIER -57.82 -63.78 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.376 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.674 HD21 HD13 ' A' ' 20' ' ' ILE . 47.9 mt -49.37 -24.16 1.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.078 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 1.0 OUTLIER -54.23 -40.23 67.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.986 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.547 ' CH2' ' HG3' ' A' ' 52' ' ' LYS . 55.0 p-90 -111.8 -32.15 6.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 108.022 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.584 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.7 OUTLIER -62.63 -44.7 95.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.584 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 72.8 m-85 -154.78 80.83 4.42 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -35.69 2.99 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.526 1.803 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.453 ' CB ' ' HG3' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -135.95 108.0 7.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 172.72 -39.22 0.15 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.502 1.127 . . . . 0.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.539 HG21 HD21 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -129.23 -176.92 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.462 0.742 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.419 ' HB2' HG21 ' A' ' 76' ' ' VAL . 10.9 t60 -136.94 114.86 11.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.615 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.6 t -93.23 135.97 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -143.98 144.05 31.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.8 m -96.32 104.97 16.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.437 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.821 HD12 HG21 ' A' ' 72' ' ' VAL . 43.9 mt -99.84 141.5 32.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -124.35 129.05 50.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.52 ' OG1' ' CB ' ' A' ' 67' ' ' LYS . 27.3 p -124.81 -148.3 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 110.459 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.05 -63.08 1.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 67' ' ' LYS . 7.7 ptmt -91.23 -41.02 11.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.52 ' CB ' ' OG1' ' A' ' 64' ' ' THR . 0.0 OUTLIER -58.28 -48.42 80.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 62.89 172.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.14 103.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.445 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER -131.6 143.7 50.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.579 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 30.0 mt -71.18 131.18 34.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.821 HG21 HD12 ' A' ' 62' ' ' LEU . 3.9 t -126.92 140.32 49.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.446 ' N ' HD12 ' A' ' 73' ' ' ILE . 4.7 mp -113.36 153.43 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.88 161.68 35.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.009 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -83.65 124.03 30.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.419 HG21 ' HB2' ' A' ' 58' ' ' HIS . 91.7 t -126.76 154.44 36.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.258 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.52 21.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -96.68 -71.28 0.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.453 ' HG3' ' CB ' ' A' ' 55' ' ' LYS . 2.0 pt-20 -56.12 -18.03 8.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -75.17 -51.51 13.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.6 149.39 24.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.1 m -61.27 -47.01 87.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 84.29 -152.91 28.54 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.47 1.107 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 141.21 26.31 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.5 1.789 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.7 m -92.76 -57.99 2.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 0.0 110.045 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.1 m -77.98 -58.51 3.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.02 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 -179.956 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.0 t 59.84 116.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 0.782 . . . . 0.0 110.044 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.56 126.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.995 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.01 -62.93 1.1 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.71 -66.41 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 m -60.93 -47.02 88.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.034 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -41.27 -29.26 0.36 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 111.034 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -61.84 -59.54 4.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 0.793 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.64 ' HB2' HD13 ' A' ' 44' ' ' LEU . 10.2 pt20 -76.13 -28.53 57.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.273 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.75 -37.99 60.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -73.52 -50.34 21.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.603 ' CE1' ' OE1' ' A' ' 41' ' ' GLN . 9.1 t80 -56.0 -53.7 53.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.605 HD11 ' HA ' ' A' ' 45' ' ' ILE . 6.6 tp -54.99 -49.98 66.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.416 ' N ' HG23 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -51.33 -56.16 14.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -45.88 -38.29 7.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.614 HG12 HD11 ' A' ' 20' ' ' ILE . 97.9 t -70.24 -49.07 57.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.61 ' HA ' HD12 ' A' ' 20' ' ' ILE . 7.6 mm -40.07 -48.13 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -50.78 -58.19 6.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -51.68 -39.22 57.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.614 HD11 HG12 ' A' ' 16' ' ' VAL . 14.0 mt -65.11 -47.28 88.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -56.08 -52.96 62.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 0.0 110.347 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.414 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 2.1 t0 -55.67 -31.25 62.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.563 ' HB2' HD13 ' A' ' 32' ' ' LEU . 2.0 t80 -77.33 -23.7 50.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.5 mt -93.11 -33.83 13.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 22' ' ' ASP . 1.3 pt20 -66.78 -37.79 85.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.413 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 1.9 t -70.05 152.89 43.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.037 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -92.21 -66.76 0.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -42.86 -49.9 5.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 110.352 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.413 ' CG ' ' HB3' ' A' ' 26' ' ' SER . 36.6 mttt -40.1 126.45 2.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.04 -36.7 3.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 73' ' ' ILE . 0.8 OUTLIER -146.16 129.76 16.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.033 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.563 HD13 ' HB2' ' A' ' 23' ' ' PHE . 17.9 tp -96.25 157.28 15.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -129.07 115.76 18.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 110.315 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.699 HD12 HD11 ' A' ' 73' ' ' ILE . 27.4 mt -94.71 176.68 6.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -87.38 152.19 52.06 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 115.75 4.38 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.498 1.788 . . . . 0.0 111.031 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 67.6 m -78.01 159.4 28.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 108.31 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.3 t -67.33 -21.94 65.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.374 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 146.46 -60.32 0.48 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -52.06 -61.38 2.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 0.756 . . . . 0.0 110.961 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.603 ' OE1' ' CE1' ' A' ' 12' ' ' PHE . 20.5 mm-40 -48.95 -50.62 34.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.683 ' HG3' HD11 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -42.02 -52.7 4.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.338 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -57.18 -40.99 78.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.3 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.64 HD13 ' HB2' ' A' ' 9' ' ' GLN . 28.7 mt -58.29 -53.02 63.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.605 ' HA ' HD11 ' A' ' 13' ' ' ILE . 98.7 mt -50.87 -59.57 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -53.92 -42.23 68.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.495 ' O ' ' CB ' ' A' ' 50' ' ' SER . 1.0 OUTLIER -57.35 -54.67 44.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.519 HG23 ' HG3' ' A' ' 52' ' ' LYS . 2.4 m -59.62 -60.73 3.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 110.386 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.407 HD13 HG21 ' A' ' 59' ' ' VAL . 59.5 mt -50.68 -22.96 2.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 1.4 t -54.44 -41.62 69.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.969 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 41.2 p-90 -110.69 -31.86 7.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 107.993 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.553 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -59.89 -35.11 74.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.553 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 57.0 m-85 -156.98 81.67 3.31 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -50.33 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.452 1.764 . . . . 0.0 110.965 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.81 121.45 34.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 147.03 -35.97 1.24 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.755 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.3 pp -132.58 161.05 42.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.574 ' HB2' HG21 ' A' ' 76' ' ' VAL . 12.9 t60 -128.07 103.62 7.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.6 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.474 ' CG1' HG23 ' A' ' 71' ' ' ILE . 43.3 t -77.42 104.53 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.551 ' HB3' ' CD2' ' A' ' 58' ' ' HIS . 10.0 pt-20 -109.52 159.11 17.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.362 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.0 m -114.86 103.67 11.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.36 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.825 HD12 HG21 ' A' ' 72' ' ' VAL . 54.2 mt -88.07 134.9 33.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.604 ' C ' HG22 ' A' ' 64' ' ' THR . 0.3 OUTLIER -105.21 149.46 25.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.604 HG22 ' C ' ' A' ' 63' ' ' GLU . 0.1 OUTLIER 174.73 175.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.404 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.512 ' N ' ' OG1' ' A' ' 64' ' ' THR . 1.7 m-20 -90.06 -11.28 41.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.425 ' HG3' ' OG1' ' A' ' 64' ' ' THR . 0.1 OUTLIER -95.16 -36.89 11.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.562 ' HB2' HG23 ' A' ' 64' ' ' THR . 8.3 mmpt? -102.49 -62.69 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER 77.37 96.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER 36.09 67.42 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.527 ' CG ' ' HB3' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -110.58 148.03 33.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.573 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.683 HD11 ' HG3' ' A' ' 42' ' ' ARG . 92.9 mt -77.82 143.2 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.825 HG21 HD12 ' A' ' 62' ' ' LEU . 2.4 t -138.62 132.33 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.824 ' N ' HD12 ' A' ' 73' ' ' ILE . 2.1 mp -101.92 111.86 33.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.456 ' O ' HG23 ' A' ' 76' ' ' VAL . 2.0 m -108.44 127.46 53.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.026 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -54.15 139.08 36.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.574 HG21 ' HB2' ' A' ' 58' ' ' HIS . 69.4 t -129.13 165.04 29.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.495 ' N ' HG12 ' A' ' 76' ' ' VAL . 38.8 t70 -138.62 151.14 46.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -81.34 -60.19 2.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.25 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -42.25 -51.97 4.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.337 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.55 -60.77 3.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.257 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -58.18 111.8 1.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.76 -49.06 72.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 109.93 109.57 3.23 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -49.53 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.503 1.791 . . . . 0.0 111.023 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 37.5 p -76.45 -57.63 3.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.7 t -51.21 -56.33 13.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.96 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.529 1.143 . . . . 0.0 110.966 -179.934 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.17 146.01 9.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.77 . . . . 0.0 110.036 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m -101.49 88.83 3.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.015 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.53 -63.39 1.12 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.478 1.111 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -45.51 -37.68 5.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 0.765 . . . . 0.0 109.96 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 t -83.65 -45.39 13.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.959 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.78 -24.82 6.38 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -68.13 -55.33 12.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 109.265 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.68 ' HB2' HD13 ' A' ' 44' ' ' LEU . 9.7 pt20 -75.58 -16.29 60.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.259 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -64.06 -36.84 85.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -72.78 -46.92 50.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.489 ' CZ ' ' HG2' ' A' ' 41' ' ' GLN . 6.8 t80 -57.98 -53.66 55.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.632 HD11 ' HA ' ' A' ' 45' ' ' ILE . 6.9 tp -56.41 -49.5 76.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.405 ' N ' HG23 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -51.39 -53.16 39.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -49.29 -38.06 26.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 12' ' ' PHE . 94.1 t -69.25 -49.87 57.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 16' ' ' VAL . 7.7 mm -40.06 -51.94 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -48.69 -51.33 29.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -53.16 -49.15 67.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.494 ' CD1' HD21 ' A' ' 49' ' ' LEU . 31.8 mt -57.81 -62.2 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -40.58 -50.49 2.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.06 -50.03 74.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.868 ' HB2' HD13 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -58.17 -35.84 72.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 110.944 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.416 HD21 HG21 ' A' ' 57' ' ' ILE . 47.2 mt -74.07 -40.29 62.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -56.44 -43.06 79.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.446 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -67.92 146.13 53.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.981 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.44 -64.68 1.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.35 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.1 -43.45 3.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.245 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.446 ' CG ' ' HB3' ' A' ' 26' ' ' SER . 16.9 mttp -43.14 135.16 3.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.16 -36.74 3.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.89 149.9 35.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.153 . . . . 0.0 110.011 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.868 HD13 ' HB2' ' A' ' 23' ' ' PHE . 24.8 tp -112.93 148.31 35.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -122.12 123.69 42.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.0 mt -99.64 175.27 5.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -83.42 152.04 63.43 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 120.08 5.92 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.484 1.781 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.443 ' HB2' ' CG ' ' A' ' 42' ' ' ARG . 74.6 m -90.04 -171.49 3.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 108.313 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.7 t -93.62 -29.7 15.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 110.45 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 154.49 -52.0 0.46 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.506 ' O ' ' CG ' ' A' ' 43' ' ' LYS . 5.5 t80 -58.8 -65.23 0.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 0.742 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.571 ' HA ' HD12 ' A' ' 44' ' ' LEU . 10.2 mt-30 -40.5 -41.96 1.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.443 ' CG ' ' HB2' ' A' ' 37' ' ' CYS . 6.4 mtm180 -55.43 -52.95 61.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.506 ' CG ' ' O ' ' A' ' 40' ' ' PHE . 1.3 ptpt -57.17 -26.81 61.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.68 HD13 ' HB2' ' A' ' 9' ' ' GLN . 26.8 mt -72.61 -51.33 20.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.632 ' HA ' HD11 ' A' ' 13' ' ' ILE . 59.6 mt -54.99 -51.45 53.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -60.66 -39.9 90.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -65.48 -42.17 92.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.526 HG21 ' CG1' ' A' ' 13' ' ' ILE . 2.8 m -70.41 -59.78 2.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.389 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.494 HD21 ' CD1' ' A' ' 20' ' ' ILE . 79.5 mt -54.11 -20.75 7.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.27 -38.52 74.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.986 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.505 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 51.6 p-90 -111.73 -32.37 6.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 107.963 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.561 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -62.25 -33.02 73.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.561 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 68.3 m-85 -158.09 82.69 2.82 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -46.19 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.91 126.54 38.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 142.49 -33.82 1.86 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.466 1.104 . . . . 0.0 110.951 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.616 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.5 pp -131.02 163.25 37.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.774 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.603 ' HB2' HG21 ' A' ' 76' ' ' VAL . 3.2 t60 -129.77 111.07 12.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.592 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.635 HG22 HG13 ' A' ' 73' ' ' ILE . 21.2 t -99.85 126.6 53.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.503 ' OE1' ' N ' ' A' ' 61' ' ' THR . 0.0 OUTLIER -141.73 165.15 28.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.503 ' N ' ' OE1' ' A' ' 60' ' ' GLU . 4.7 m -99.67 103.22 14.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.368 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.764 HD12 HG11 ' A' ' 72' ' ' VAL . 31.9 mt -99.51 135.94 40.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -124.52 128.4 48.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 65' ' ' ASP . 2.1 p -127.26 -143.84 0.29 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 110.417 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.436 ' N ' ' OG1' ' A' ' 64' ' ' THR . 0.6 OUTLIER -92.66 -63.36 1.23 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -89.95 -41.01 12.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.512 ' HG2' ' CE1' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -64.63 -38.26 90.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 50.52 -177.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.449 ' HG2' ' CG2' ' A' ' 61' ' ' THR . 0.1 OUTLIER -55.99 114.79 2.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.339 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.512 ' CE1' ' HG2' ' A' ' 67' ' ' LYS . 0.3 OUTLIER -154.52 146.1 23.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.593 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.408 HG23 ' CG1' ' A' ' 59' ' ' VAL . 55.1 mt -63.88 129.21 27.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.764 HG11 HD12 ' A' ' 62' ' ' LEU . 2.3 t -130.64 147.67 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.635 HG13 HG22 ' A' ' 59' ' ' VAL . 4.3 mp -116.8 151.57 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.83 159.35 42.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.003 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.564 ' HE3' ' CE1' ' A' ' 23' ' ' PHE . 0.4 OUTLIER -79.08 125.76 29.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.603 HG21 ' HB2' ' A' ' 58' ' ' HIS . 86.2 t -124.24 163.09 24.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.463 ' N ' HG12 ' A' ' 76' ' ' VAL . 3.5 t70 -137.44 154.89 49.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.94 -64.36 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.21 -60.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.253 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.25 -66.27 0.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.35 156.52 7.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 26.0 m -89.31 -48.33 7.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 110.002 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 112.36 157.25 13.35 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 153.49 42.14 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.455 1.766 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.4 -55.14 5.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.002 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.4 t -75.53 -55.4 5.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.994 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.967 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 m -153.46 117.16 4.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.754 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 p -149.92 -176.18 5.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.71 -60.64 3.36 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.8 p -42.26 -44.4 3.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 0.778 . . . . 0.0 109.983 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.93 -53.64 6.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.018 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.23 -26.19 1.35 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.55 1.156 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -66.28 -56.3 11.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.777 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.8 ' HB2' HD13 ' A' ' 44' ' ' LEU . 7.7 pt20 -76.29 -20.9 56.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -37.59 87.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -72.14 -44.05 63.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.411 ' CZ ' ' HB3' ' A' ' 41' ' ' GLN . 8.2 t80 -61.18 -53.42 57.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.991 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.623 HD11 ' HA ' ' A' ' 45' ' ' ILE . 6.8 tp -57.65 -54.48 30.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.501 ' N ' HG23 ' A' ' 13' ' ' ILE . 56.9 t0 -45.5 -52.52 10.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -50.59 -40.6 52.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.338 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.2 t -66.9 -52.92 39.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.544 ' N ' HD13 ' A' ' 17' ' ' ILE . 3.7 mm -40.27 -41.3 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -59.24 -53.79 54.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 110.294 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -52.57 -42.29 64.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.549 1.156 . . . . 0.0 109.38 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.526 HG22 HD11 ' A' ' 24' ' ' LEU . 71.8 mt -64.21 -61.57 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -39.61 -55.88 1.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.261 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -54.33 -52.32 61.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.717 ' HB2' HD13 ' A' ' 32' ' ' LEU . 1.1 t80 -55.5 -35.89 66.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 111.024 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.526 HD11 HG22 ' A' ' 20' ' ' ILE . 36.5 mt -73.82 -34.45 64.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -59.87 -44.8 93.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.1 146.45 54.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.003 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.27 -51.58 5.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -49.52 67.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -43.63 130.32 5.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -114.28 -34.32 5.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.27 146.07 30.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.991 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.717 HD13 ' HB2' ' A' ' 23' ' ' PHE . 21.2 tp -111.23 155.01 23.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -127.44 120.14 27.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 28.3 mt -94.98 178.14 5.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.17 151.94 60.83 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 114.26 3.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.516 1.798 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.0 p -89.2 168.01 12.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 108.325 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.5 t -70.93 -45.69 63.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.401 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.427 ' HA2' ' NH1' ' A' ' 42' ' ' ARG . . . 169.11 -67.98 0.17 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.413 1.071 . . . . 0.0 111.039 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -38.01 -59.99 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 0.772 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.425 ' NE2' HD12 ' A' ' 44' ' ' LEU . 28.3 mm100 -51.03 -41.07 59.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.679 ' HG2' HD11 ' A' ' 71' ' ' ILE . 5.7 ttm105 -49.71 -54.8 16.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -54.92 -40.8 70.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.343 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.8 HD13 ' HB2' ' A' ' 9' ' ' GLN . 37.3 mt -55.49 -63.91 1.02 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.623 ' HA ' HD11 ' A' ' 13' ' ' ILE . 80.8 mt -40.5 -62.04 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -54.75 -34.67 62.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -66.0 -45.57 81.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.309 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.447 HG23 ' HG3' ' A' ' 52' ' ' LYS . 8.0 m -67.07 -61.28 2.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.418 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.501 HD12 HG21 ' A' ' 59' ' ' VAL . 36.3 mt -51.1 -24.92 4.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.4 -42.7 54.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.989 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.462 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 39.4 p-90 -111.45 -31.64 6.97 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.581 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -61.95 -44.89 95.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.581 ' CD1' ' HB3' ' A' ' 52' ' ' LYS . 77.8 m-85 -146.4 77.28 11.69 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.985 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -49.43 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.536 1.808 . . . . 0.0 111.012 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.94 122.75 38.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 144.57 -34.36 1.6 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.119 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.667 ' O ' HD12 ' A' ' 57' ' ' ILE . 1.1 pp -131.16 165.17 32.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.471 0.748 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.606 ' HB2' HG21 ' A' ' 76' ' ' VAL . 2.5 t60 -130.18 110.83 11.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.576 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.501 HG21 HD12 ' A' ' 49' ' ' LEU . 59.2 t -87.69 133.68 29.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -142.22 139.59 32.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.559 ' C ' HD22 ' A' ' 62' ' ' LEU . 2.3 m -109.58 126.11 53.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.42 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.922 HD22 ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -126.65 149.88 49.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -112.3 132.24 55.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.421 ' OG1' ' N ' ' A' ' 68' ' ' GLU . 41.8 p -113.53 -148.09 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.447 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.93 -63.81 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.59 -36.5 10.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -70.63 -25.41 63.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.421 ' N ' ' OG1' ' A' ' 64' ' ' THR . 1.1 mt-10 45.49 -163.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.4 117.12 2.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.481 ' CE1' ' CG2' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -139.44 145.65 39.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.593 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.679 HD11 ' HG2' ' A' ' 42' ' ' ARG . 35.2 mt -80.86 143.27 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.481 ' CG2' ' CE1' ' A' ' 70' ' ' HIS . 3.8 t -138.17 140.61 39.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.592 ' N ' HD12 ' A' ' 73' ' ' ILE . 3.7 mp -112.21 141.24 28.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -126.68 156.96 40.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.015 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.33 126.0 31.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.606 HG21 ' HB2' ' A' ' 58' ' ' HIS . 96.0 t -125.83 162.82 28.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.455 ' N ' HG12 ' A' ' 76' ' ' VAL . 22.6 t70 -151.06 156.3 40.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.44 -56.71 6.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.08 -59.58 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.272 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -43.34 -66.81 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.58 146.9 15.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.24 -48.69 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.951 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -43.36 111.58 0.42 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.454 1.096 . . . . 0.0 110.976 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 100.0 1.31 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.486 1.782 . . . . 0.0 111.042 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.36 -36.49 81.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.997 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.3 -60.45 3.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.968 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 -179.998 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.5 p -102.56 165.31 11.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 0.778 . . . . 0.0 110.026 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.02 -67.28 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.035 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.46 -58.68 12.14 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.7 t -43.34 -61.83 1.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.763 . . . . 0.0 109.991 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.6 m -51.55 -52.03 50.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.993 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -41.37 -50.96 4.58 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.1 -51.29 18.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 0.777 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -73.47 -28.51 61.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.449 ' O ' HG22 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -67.18 -41.58 85.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.4 mmtp -67.17 -49.85 63.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.568 ' CE1' ' OE1' ' A' ' 41' ' ' GLN . 13.1 t80 -55.32 -57.16 12.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.605 HD11 ' HA ' ' A' ' 45' ' ' ILE . 4.7 tp -54.2 -44.06 63.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.44 -55.42 31.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -46.48 -38.26 8.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 12' ' ' PHE . 59.9 t -68.45 -47.8 75.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.3 mm -42.32 -49.5 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -50.41 -50.95 50.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -58.53 -45.86 87.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.638 HG22 ' CD1' ' A' ' 24' ' ' LEU . 84.0 mt -57.97 -64.64 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' ILE . 2.7 mt-10 -37.1 -59.13 0.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.328 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.84 -55.91 14.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.779 ' HB2' HD13 ' A' ' 32' ' ' LEU . 1.5 t80 -52.56 -38.74 60.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.638 ' CD1' HG22 ' A' ' 20' ' ' ILE . 25.0 mt -72.2 -33.42 67.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -63.52 -51.76 64.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.414 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 1.2 t -54.42 142.17 28.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.007 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -92.7 -38.35 11.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 29' ' ' LYS . 5.5 tt0 -66.37 -46.78 75.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.414 ' CG ' ' HB3' ' A' ' 26' ' ' SER . 26.0 mttt -39.93 133.12 1.68 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.244 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.15 -38.17 3.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.1 128.31 16.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.048 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.779 HD13 ' HB2' ' A' ' 23' ' ' PHE . 22.8 tp -96.8 149.31 21.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.41 ' HG2' HG22 ' A' ' 72' ' ' VAL . 53.0 mt-10 -121.57 126.36 48.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.448 HD12 HD11 ' A' ' 73' ' ' ILE . 31.3 mt -103.3 176.43 5.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -75.1 156.39 85.95 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 113.13 3.72 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.472 1.775 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.5 m -75.45 162.98 27.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 108.292 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.8 t -93.96 -25.92 17.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.398 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 162.08 -82.66 0.12 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 0.0 110.962 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -44.74 -57.62 3.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 110.992 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.695 ' HA ' HD12 ' A' ' 44' ' ' LEU . 74.8 mm-40 -45.53 -55.38 6.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.941 ' HG3' HD11 ' A' ' 71' ' ' ILE . 1.8 ttt180 -43.69 -46.67 7.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -61.91 -37.67 85.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.695 HD12 ' HA ' ' A' ' 41' ' ' GLN . 41.3 mt -58.91 -58.82 6.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.251 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.605 ' HA ' HD11 ' A' ' 13' ' ' ILE . 95.3 mt -45.42 -60.5 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.447 ' CE1' ' CG1' ' A' ' 59' ' ' VAL . 19.2 m-85 -51.92 -52.84 47.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.8 OUTLIER -47.25 -54.72 10.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.593 HG23 ' HG3' ' A' ' 52' ' ' LYS . 4.7 m -57.21 -67.76 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.393 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.434 HD21 ' CD1' ' A' ' 20' ' ' ILE . 74.2 mt -46.09 -25.65 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.6 OUTLIER -54.16 -40.65 67.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.019 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.469 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 44.3 p-90 -110.94 -32.38 6.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 107.969 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.593 ' HG3' HG23 ' A' ' 48' ' ' THR . 0.1 OUTLIER -61.05 -33.47 73.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.277 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.574 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 53.4 m-85 -161.86 83.96 1.71 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -36.21 2.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.476 1.777 . . . . 0.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.18 108.61 6.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 173.35 -45.16 0.16 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.483 HD11 ' CB ' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -127.65 -176.91 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 109.346 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.548 ' CD2' ' OE1' ' A' ' 60' ' ' GLU . 1.6 t60 -136.58 116.06 12.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.644 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.447 ' CG1' ' CE1' ' A' ' 46' ' ' TYR . 37.3 t -90.79 133.99 30.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.269 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.548 ' OE1' ' CD2' ' A' ' 58' ' ' HIS . 8.6 pt-20 -140.74 153.71 46.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.263 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.404 HG21 ' NH1' ' A' ' 42' ' ' ARG . 7.5 m -110.68 104.24 12.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 110.395 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.451 HD12 HG21 ' A' ' 72' ' ' VAL . 13.3 mt -106.35 156.96 17.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -124.78 140.29 53.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.44 ' HB ' ' CG ' ' A' ' 66' ' ' LYS . 12.2 p -129.09 143.39 50.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.398 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -57.89 -33.33 68.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.44 ' CG ' ' HB ' ' A' ' 64' ' ' THR . 0.2 OUTLIER -46.2 -74.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.533 ' O ' ' CB ' ' A' ' 68' ' ' GLU . 0.9 OUTLIER -107.2 -69.61 0.83 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.533 ' CB ' ' O ' ' A' ' 67' ' ' LYS . 0.4 OUTLIER 158.3 -165.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.325 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 68' ' ' GLU . 0.9 OUTLIER -37.58 149.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.267 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.705 ' CE1' ' CG2' ' A' ' 72' ' ' VAL . 0.8 OUTLIER -167.23 145.74 4.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.582 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.941 HD11 ' HG3' ' A' ' 42' ' ' ARG . 28.3 mt -74.38 141.03 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.705 ' CG2' ' CE1' ' A' ' 70' ' ' HIS . 3.9 t -138.86 137.16 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.448 HD11 HD12 ' A' ' 34' ' ' LEU . 3.8 mp -109.54 152.54 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.72 159.42 41.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -81.1 126.56 31.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 77' ' ' ASP . 92.9 t -127.47 163.28 31.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.46 ' N ' HG12 ' A' ' 76' ' ' VAL . 26.3 t0 -159.11 153.2 23.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.33 -62.6 1.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -40.42 -59.22 1.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -46.93 -59.02 3.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -51.18 114.4 1.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 78.0 p -59.66 -34.04 72.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.969 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 128.38 -144.38 15.22 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 164.61 32.95 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.491 1.785 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.9 m -53.95 -63.57 1.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.54 -62.22 0.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.51 101.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.763 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.35 151.43 2.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.029 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.59 -53.16 43.3 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 8' ' ' ASP . 0.6 OUTLIER -43.53 -61.72 1.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 0.78 . . . . 0.0 110.01 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -40.32 -56.67 1.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.953 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -43.31 -38.48 3.79 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.13 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 5' ' ' SER . 1.1 m-20 -52.29 -44.16 64.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.591 ' HB3' HD13 ' A' ' 44' ' ' LEU . 13.4 mm-40 -90.75 -26.12 19.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.2 -35.3 78.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -78.03 -40.51 38.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.861 ' O ' HG23 ' A' ' 16' ' ' VAL . 1.3 t80 -65.08 -40.02 94.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.622 HD11 ' HA ' ' A' ' 45' ' ' ILE . 6.2 tp -71.01 -48.74 54.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -54.54 -43.96 72.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.176 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -61.48 -37.18 82.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.267 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 12' ' ' PHE . 94.8 t -68.56 -50.92 51.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 20' ' ' ILE . 4.4 mt -47.74 -50.08 9.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -45.2 -47.08 12.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -62.18 -34.19 75.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.595 HG22 HD11 ' A' ' 24' ' ' LEU . 65.5 mt -71.17 -60.53 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.429 ' HA ' HD12 ' A' ' 24' ' ' LEU . 1.9 mm-40 -38.12 -51.46 1.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -57.96 -50.33 73.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.74 ' HB2' HD13 ' A' ' 32' ' ' LEU . 1.4 t80 -58.0 -30.97 66.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.595 HD11 HG22 ' A' ' 20' ' ' ILE . 16.7 mt -77.38 -35.24 54.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -60.21 -52.37 65.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.406 ' HB3' ' CG ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -57.3 148.07 23.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.017 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -92.36 -63.56 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -42.64 -45.71 4.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.246 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.406 ' CG ' ' HB3' ' A' ' 26' ' ' SER . 68.0 mttt -41.77 134.79 2.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.91 -37.64 3.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.02 155.08 42.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.982 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.74 HD13 ' HB2' ' A' ' 23' ' ' PHE . 22.2 tp -118.61 155.33 31.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -123.67 123.92 41.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 27.3 mt -102.99 167.2 9.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.3 p-10 -67.08 150.75 97.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 101.23 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 64.7 m -70.82 178.86 2.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 108.268 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.9 p -92.76 -55.83 3.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.372 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -177.26 -50.96 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.462 ' O ' ' CG ' ' A' ' 43' ' ' LYS . 9.1 t80 -65.62 -64.09 0.94 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 0.77 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.714 ' HA ' HD12 ' A' ' 44' ' ' LEU . 1.6 mt-30 -51.83 -26.16 9.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.653 ' HG2' HD11 ' A' ' 71' ' ' ILE . 1.6 ttm180 -67.37 -47.94 68.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.322 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 40' ' ' PHE . 6.8 ptpt -62.62 -29.37 70.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.714 HD12 ' HA ' ' A' ' 41' ' ' GLN . 64.4 mt -63.05 -52.8 61.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.622 ' HA ' HD11 ' A' ' 13' ' ' ILE . 53.8 mt -53.33 -51.42 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.618 ' CE1' ' CG1' ' A' ' 59' ' ' VAL . 33.9 m-85 -63.56 -34.14 77.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 111.061 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.41 ' O ' ' HB3' ' A' ' 50' ' ' SER . 2.3 tt0 -67.93 -42.6 80.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.519 HG23 ' HG3' ' A' ' 52' ' ' LYS . 16.1 m -68.67 -70.79 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.8 mt -42.97 -31.74 0.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.41 ' HB3' ' O ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -48.45 -41.48 29.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.044 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.569 ' CZ3' ' HG2' ' A' ' 52' ' ' LYS . 54.6 p-90 -110.68 -32.65 6.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 108.002 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.575 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -61.14 -42.97 99.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.575 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 79.5 m-85 -153.39 80.37 5.25 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -57.54 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.53 1.805 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.26 103.02 12.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 173.75 -50.59 0.15 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.117 . . . . 0.0 111.06 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.554 HG21 HD21 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -127.88 -177.04 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 0.773 . . . . 0.0 109.333 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.487 ' C ' ' CD2' ' A' ' 58' ' ' HIS . 0.9 OUTLIER -139.35 121.71 16.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.607 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.618 ' CG1' ' CE1' ' A' ' 46' ' ' TYR . 36.7 t -93.51 132.8 36.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.42 ' HB3' ' NE2' ' A' ' 58' ' ' HIS . 0.5 OUTLIER -144.35 142.65 30.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 110.327 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.425 ' HG1' ' HH ' ' A' ' 46' ' ' TYR . 53.8 m -93.72 104.75 16.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.423 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.715 HD12 HG21 ' A' ' 72' ' ' VAL . 84.9 mt -95.4 136.71 35.42 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.542 1.152 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -123.73 128.19 49.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 65' ' ' ASP . 3.7 p -125.01 -140.78 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.403 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.437 ' N ' ' OG1' ' A' ' 64' ' ' THR . 0.4 OUTLIER -91.61 -63.58 1.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -95.68 -37.59 10.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -47.68 80.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 62.18 173.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.515 ' CG ' ' O ' ' A' ' 69' ' ' ARG . 18.5 ptt180 -50.56 99.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.476 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER -127.67 141.34 51.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.602 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.653 HD11 ' HG2' ' A' ' 42' ' ' ARG . 35.7 mt -63.81 134.17 28.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.715 HG21 HD12 ' A' ' 62' ' ' LEU . 2.6 t -133.28 143.23 39.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.637 ' N ' HD12 ' A' ' 73' ' ' ILE . 3.9 mp -112.97 151.12 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.29 157.74 46.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.012 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -78.62 123.1 26.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.494 HG12 ' N ' ' A' ' 77' ' ' ASP . 95.8 t -125.96 164.94 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.494 ' N ' HG12 ' A' ' 76' ' ' VAL . 29.5 t70 -148.17 164.14 34.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.77 -54.49 38.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.22 -62.69 1.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -39.05 -68.23 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -62.72 127.35 30.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.259 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.3 t -72.91 -45.87 55.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.031 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 88.83 154.17 28.24 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 157.76 42.49 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.543 1.812 . . . . 0.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.67 -56.81 2.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 110.037 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.5 m -60.1 -55.07 38.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.026 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.58 1.175 . . . . 0.0 111.015 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m 48.36 77.94 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 109.964 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.36 118.83 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.982 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.28 -54.37 23.93 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.52 -44.6 8.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 0.79 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -69.21 -55.98 8.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.022 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -42.31 -41.39 3.93 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -51.51 -61.02 2.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.75 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.642 ' HB3' HD13 ' A' ' 44' ' ' LEU . 22.9 mt-30 -70.36 -28.43 65.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -29.37 64.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.4 mtmt -81.87 -46.47 14.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.855 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.9 OUTLIER -58.9 -38.58 79.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.716 HG12 HG21 ' A' ' 48' ' ' THR . 6.5 tp -71.46 -49.4 47.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.253 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.416 ' N ' HG23 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -53.5 -43.07 67.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -63.02 -37.11 85.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.855 HG23 ' O ' ' A' ' 12' ' ' PHE . 93.2 t -68.93 -51.08 48.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.422 HD12 ' O ' ' A' ' 13' ' ' ILE . 4.1 mt -46.68 -47.33 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -47.8 -48.58 30.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -57.32 -38.76 74.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.449 HG22 ' CD1' ' A' ' 24' ' ' LEU . 47.8 mt -68.65 -45.74 80.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -51.17 -61.08 2.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -48.51 -46.42 38.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.834 ' HB2' HD13 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -60.16 -41.88 93.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.521 HD21 HG21 ' A' ' 57' ' ' ILE . 26.6 mt -65.9 -38.22 88.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -59.89 -42.45 93.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.29 145.92 54.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.035 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.24 -56.89 2.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 29' ' ' LYS . 1.4 mt-10 -49.59 -51.5 36.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 28' ' ' GLU . 22.9 mttp -40.12 133.25 1.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.59 -35.66 3.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.21 137.95 24.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.985 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.834 HD13 ' HB2' ' A' ' 23' ' ' PHE . 15.4 tp -103.77 157.0 17.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -126.58 125.81 42.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 34' ' ' LEU . 23.4 mt -100.96 163.87 12.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.092 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.88 152.99 91.15 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 120.55 6.12 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.515 1.797 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.9 m -90.11 162.79 15.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 108.286 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.1 t -70.68 -36.65 73.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 163.64 -74.56 0.18 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.541 1.151 . . . . 0.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -42.19 -53.4 4.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 0.763 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.468 ' HG2' ' CE2' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -55.71 -54.04 49.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.8 ' HG2' HD11 ' A' ' 71' ' ' ILE . 0.5 OUTLIER -38.77 -46.06 1.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -63.7 -47.62 80.43 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.642 HD13 ' HB3' ' A' ' 9' ' ' GLN . 64.1 mt -46.63 -48.0 19.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.643 ' HA ' HD11 ' A' ' 13' ' ' ILE . 96.0 mt -56.26 -58.44 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.414 ' HH ' ' HG1' ' A' ' 61' ' ' THR . 22.8 m-85 -54.24 -62.82 1.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.948 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.492 ' O ' ' CB ' ' A' ' 50' ' ' SER . 0.7 OUTLIER -41.82 -53.04 3.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.716 HG21 HG12 ' A' ' 13' ' ' ILE . 3.7 m -57.14 -69.05 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.397 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.6 mt -46.76 -25.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.4 OUTLIER -54.38 -40.91 68.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.069 . . . . 0.0 109.993 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 44.7 p-90 -110.28 -30.55 7.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 108.004 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.544 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -64.54 -39.17 93.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.604 ' O ' HD11 ' A' ' 57' ' ' ILE . 87.6 m-85 -151.92 79.42 6.38 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -51.66 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.578 1.831 . . . . 0.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.08 114.56 21.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.73 -32.84 0.75 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.956 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.604 HD11 ' O ' ' A' ' 53' ' ' TYR . 1.4 pp -133.57 165.62 31.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.475 0.75 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.535 ' HB2' HG21 ' A' ' 76' ' ' VAL . 4.3 t60 -129.99 108.47 10.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.572 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.609 HG22 HG13 ' A' ' 73' ' ' ILE . 30.8 t -92.85 131.36 40.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.99 ' OE2' HD11 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -138.27 165.26 27.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.414 ' HG1' ' HH ' ' A' ' 46' ' ' TYR . 1.6 m -117.93 127.27 53.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.41 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.99 HD11 ' OE2' ' A' ' 60' ' ' GLU . 1.3 mt -128.41 142.77 51.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.36 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.83 133.59 55.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 30.2 p -117.59 -145.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.381 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.58 -63.82 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -96.74 -36.53 10.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 109.333 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.445 ' O ' ' CG ' ' A' ' 68' ' ' GLU . 1.4 mmtp -67.66 -23.7 65.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.445 ' CG ' ' O ' ' A' ' 67' ' ' LYS . 7.6 pt-20 46.21 -158.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.75 111.08 2.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.551 ' CE1' HG23 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -128.95 147.95 50.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.612 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.8 HD11 ' HG2' ' A' ' 42' ' ' ARG . 33.6 mt -81.35 135.97 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.551 HG23 ' CE1' ' A' ' 70' ' ' HIS . 2.1 t -137.08 141.0 41.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.609 HG13 HG22 ' A' ' 59' ' ' VAL . 4.0 mp -112.71 157.13 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.65 161.51 35.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -83.01 124.2 30.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.582 1.176 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.545 HG12 ' N ' ' A' ' 77' ' ' ASP . 86.9 t -123.68 167.94 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.545 ' N ' HG12 ' A' ' 76' ' ' VAL . 31.5 t70 -146.14 153.52 40.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -62.07 -64.15 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.269 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 78' ' ' GLU . 7.0 mm-40 -38.71 -62.78 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -38.76 -69.58 0.12 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.46 134.02 40.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.94 -49.59 19.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.949 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 60.33 -166.67 10.89 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.532 1.145 . . . . 0.0 110.959 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 178.26 7.48 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.514 1.797 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.2 m -85.84 -58.92 2.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.001 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.2 t -46.08 -58.84 3.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.976 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 -179.982 . . . . . . . . 0 0 . 1 stop_ save_